3-coumaric acid
pair of cis–trans isomers
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3-coumaric acid
Summary
3-coumaric acid is a group of stereoisomers[1].
Key Facts
- 3-coumaric acid's instance of is recorded as group of stereoisomers[2].
- 3-coumaric acid's CAS Registry Number is recorded as 588-30-7[3].
- 3-coumaric acid's canonical SMILES is recorded as C1=CC(=CC(=C1)O)C=CC(=O)O[4].
- 3-coumaric acid's InChI is recorded as InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)[5].
- 3-coumaric acid's InChIKey is recorded as KKSDGJDHHZEWEP-UHFFFAOYSA-N[6].
- 3-coumaric acid's chemical formula is recorded as C₉H₈O₃[7].
- 3-coumaric acid's subclass of is recorded as monoanion[8].
- 3-coumaric acid's subclass of is recorded as carboxylate anion[9].
- 3-coumaric acid's ChemSpider ID is recorded as 11012[10].
- 3-coumaric acid's PubChem CID is recorded as 11496[11].
- 3-coumaric acid's ChEBI ID is recorded as 47925[12].
- 3-coumaric acid's found in taxon is recorded as Balanophora tobiracola[13].
- 3-coumaric acid's Reaxys registry number is recorded as 2690254[14].
- 3-coumaric acid's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+164.047'}[15].
- 3-coumaric acid's NSC number is recorded as 28956[16].
- 3-coumaric acid's NSC number is recorded as 50308[17].
- 3-coumaric acid's SureChEMBL ID is recorded as 448904[18].
- 3-coumaric acid's DSSTox substance ID is recorded as DTXSID00891551[19].
- 3-coumaric acid's MassBank accession ID is recorded as MSBNK-MetaboLights-ML001251[20].
- 3-coumaric acid's DSSTOX compound identifier is recorded as DTXCID40909124[21].
- 3-coumaric acid's NMRShiftDB structure ID is recorded as 10008843[22].
- 3-coumaric acid's UniChem compound ID is recorded as 1097992[23].