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614-75-5 molecular structure
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2-(2-hydroxyphenyl)acetic acid

ChemBase ID: 69866
Molecular Formular: C8H8O3
Molecular Mass: 152.14732
Monoisotopic Mass: 152.04734412
SMILES and InChIs

SMILES:
C(=O)(Cc1c(cccc1)O)O
Canonical SMILES:
OC(=O)Cc1ccccc1O
InChI:
InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
InChIKey:
CCVYRRGZDBSHFU-UHFFFAOYSA-N

Cite this record

CBID:69866 http://www.chembase.cn/molecule-69866.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-hydroxyphenyl)acetic acid
IUPAC Traditional name
o-hydroxyphenylacetic acid
Synonyms
(o-Hydroxyphenyl)acetic Acid
2-HPAA
2-Hydroxybenzeneacetic Acid
NSC 62000
2-Hydroxyphenylacetic acid
2-Hydroxyphenylacetic acid
o-HYDROXYPHENYLACETIC ACID
2-(2-hydroxyphenyl)acetic acid
2-Hydroxyphenylacetic acid
2-Hydroxyphenylacetic acid 98%
邻羟基苯乙酸
2-羟基苯乙酸
CAS Number
614-75-5
EC Number
210-393-2
MDL Number
MFCD00004323
Beilstein Number
908000
PubChem SID
24895662
24879922
162035591
PubChem CID
11970

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.000715  H Acceptors
H Donor LogD (pH = 5.5) -0.201422 
LogD (pH = 7.4) -1.8557342  Log P 1.3074288 
Molar Refractivity 39.3465 cm3 Polarizability 15.150053 Å3
Polar Surface Area 57.53 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Methanol expand Show data source
Water expand Show data source
Apperance
Off-White Solid expand Show data source
Melting Point
139-141°C expand Show data source
145-147 °C expand Show data source
145-147 °C(lit.) expand Show data source
145-147°C expand Show data source
146-148°C expand Show data source
Hydrophobicity(logP)
0.697 expand Show data source
Storage Condition
-20°C Freezer expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥97.0% (T) expand Show data source
95% expand Show data source
95+% expand Show data source
97% expand Show data source
98% expand Show data source
99% expand Show data source
Grade
purum expand Show data source
ReagentPlus® expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Download expand Show data source
Linear Formula
HOC6H4CH2CO2H expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02157483 external link
(2-Hydroxyphenylacetic acid)
Crystalline
MP Biomedicals - 05202611 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - H49804 external link
Packaging
10, 25 g in poly bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. H49804.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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