Basic information
- CAS
95519-23-6- Standard SMILES
O=C(/C=C/c1ccc(O)cc1)OC(C(=O)O)C(=O)O- InChIKey
RWROLZXFRYSDLG-ZZXKWVIFSA-N- Molecular formula
- C12H10O7
- Average molar mass
- 266.2 g/mol
- Monoisotopic mass
- 266.04265265
Overview
2-O-p-Coumaroyltartronic acid is a cinnamate ester.
Names & identifiers
- Preferred name
- 2-O-p-Coumaroyltartronic acid
- IUPAC
- 2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxypropanedioic acid
Names & synonyms
2-O-p-Coumaroyltartronic acidCHEBI:174489DTXSID601157036{[(2E)-3-(4-Hydroxyphenyl)prop-2-enoyl]oxy}propanedioic acid2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxypropanedioic acidPROPANEDIOIC ACID, [[3-(4-HYDROXYPHENYL)-1-OXO-2-PROPENYL]OXY]-, (E)-95519-23-6
Database identifiers
- CAS
95519-23-6- PubChem CID
- 92012255
- DTXSID
DTXSID601157036- ChEBI
CHEBI:174489- Nikkaji
- J3.506.849J
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 366
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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