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14160-71-5 molecular structure
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5-ethoxy-2-hydroxybenzoic acid

ChemBase ID: 139166
Molecular Formular: C9H10O4
Molecular Mass: 182.1733
Monoisotopic Mass: 182.0579088
SMILES and InChIs

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

Cite this record

CBID:139166 http://www.chembase.cn/molecule-139166.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-ethoxy-2-hydroxybenzoic acid
IUPAC Traditional name
5-ethoxy-2-hydroxybenzoic acid
Synonyms
5-Ethoxysalicylic acid
5-乙氧基水杨酸
CAS Number
14160-71-5
EC Number
238-004-1
MDL Number
MFCD00016503
PubChem SID
24880440
162233414
PubChem CID
84229

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
568376 external link Add to cart Please log in.
Data Source Data ID
PubChem 84229 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.5216048  H Acceptors
H Donor LogD (pH = 5.5) -0.6948536 
LogD (pH = 7.4) -1.3340487  Log P 2.1764002 
Molar Refractivity 46.5069 cm3 Polarizability 17.6755 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
159-163 °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

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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