Basic information
- Standard SMILES
O=C(O)C=Cc1ccccc1O- InChIKey
PMOWTIHVNWZYFI-UHFFFAOYSA-N- Molecular formula
- C9H8O3
- Average molar mass
- 164.16 g/mol
- Monoisotopic mass
- 164.04734412
Overview
PMOWTIHVNWZYFI-UHFFFAOYSA-N has been reported in Salvia officinalis, Secale cereale, and other organisms with data available.
Names & identifiers
- Preferred name
- 3-(2-Hydroxyphenyl)-2-propenoic acid
- IUPAC
- 3-(2-hydroxyphenyl)prop-2-enoic acid
Names & synonyms
DTXSID708622333-(2-Hydroxyphenyl)-2-propenoic acidRefChem:198180DTXCID70811029ortho-Hydroxycinnamic acid3-(2-hydroxyphenyl)prop-2-enoic acid2-Hydroxy Cinnamic AcidOrthocumarsaureUNII-2S0H1PX3LMSCHEMBL64886SCHEMBL11316192SCHEMBL11316210
Show more names
SCHEMBL29367602PMOWTIHVNWZYFI-UHFFFAOYSA-NHMS3604C08EINECS 209-500-5AKOS026677434DB-053896Q27102874
Database identifiers
- CAS
583-17-5- PubChem CID
- 11968
- DTXSID
DTXSID70862233
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 186
Related reactions
19 records
Linked notes
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