Benzenepropanoic acid, 2,5-dihydroxy-
Basic information
- CAS
10538-47-3- Standard SMILES
O=C(O)CCc1cc(O)ccc1O- InChIKey
SQAWOFKHXXVVLM-UHFFFAOYSA-N- Molecular formula
- C9H10O4
- Average molar mass
- 182.17 g/mol
- Monoisotopic mass
- 182.0579088
Names & identifiers
- Preferred name
- Benzenepropanoic acid, 2,5-dihydroxy-
- IUPAC
- 3-(2,5-dihydroxyphenyl)propanoic acid
- English name
- (2,5-Dihydroxyphenyl)propionic acid
- Molecular formula
- C9H10O4
- Molecular weight
- 182.17
Names & synonyms
10538-47-3Benzenepropanoic acid, 2,5-dihydroxy-(2,5-Dihydroxyphenyl)propionic acid3-(2,5-dihydroxyphenyl)propanoic acid2,5-Dihydroxybenzenepropanoic acidHydrocinnamic acid, 2,5-dihydroxy-YTE9205NHPUNII-YTE9205NHPSCHEMBL490884DTXSID801471042,5-DIHYDROXYHYDROCINNAMIC ACID3-(2,5-dihydroxyphenyl)propionic acid
Show more names
2,5-Dihydroxyphenylpropanoic acid
FD66515EN300-1870099
Database identifiers
- CAS
10538-47-3- PubChem CID
- 20569239
- DTXSID
DTXSID80147104- UNII
- YTE9205NHP
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Boiling point
- 435.9 · 435.9±30.0 °C(Predicted)
- Density
- 1.398 · 1.398±0.06 g/cm3(Predicted)
- pka
- 4.77 · 4.77±0.10(Predicted)
- FDA UNII
- 9205 NHP · YTE9205NHP
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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