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10435-55-9 molecular structure
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4-ethoxy-2-hydroxybenzoic acid

ChemBase ID: 151708
Molecular Formular: C9H10O4
Molecular Mass: 182.1733
Monoisotopic Mass: 182.0579088
SMILES and InChIs

SMILES:
CCOc1ccc(c(c1)O)C(=O)O
Canonical SMILES:
CCOc1ccc(c(c1)O)C(=O)O
InChI:
InChI=1S/C9H10O4/c1-2-13-6-3-4-7(9(11)12)8(10)5-6/h3-5,10H,2H2,1H3,(H,11,12)
InChIKey:
DVZPQHRWOUXUPU-UHFFFAOYSA-N

Cite this record

CBID:151708 http://www.chembase.cn/molecule-151708.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-ethoxy-2-hydroxybenzoic acid
IUPAC Traditional name
4-ethoxy-2-hydroxybenzoic acid
Synonyms
4-Ethoxy-2-hydroxybenzoic acid
4-Ethoxysalicylic acid
4-乙氧基-2-羟基苯甲酸
4-乙氧基水杨酸
CAS Number
10435-55-9
EC Number
233-919-2
MDL Number
MFCD00016500
PubChem SID
24847828
162245858
PubChem CID
82628

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
128104 external link Add to cart Please log in.
Data Source Data ID
PubChem 82628 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.0818064  H Acceptors
H Donor LogD (pH = 5.5) -0.21107225 
LogD (pH = 7.4) -1.2876368  Log P 2.1764002 
Molar Refractivity 46.5069 cm3 Polarizability 17.675856 Å3
Polar Surface Area 66.76 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
153-157 °C(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
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
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
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
97% expand Show data source
Linear Formula
CH3CH2OC6H3(OH)CO2H expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 128104 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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