Cas no 38481-04-8 (2-Propenoic acid, 3-(2,3-dihydroxyphenyl)-, (2E)-)
38481-04-8 structure
Product Name:2-Propenoic acid, 3-(2,3-dihydroxyphenyl)-, (2E)-
CAS No:38481-04-8
MF:C9H8O4
MW:180.157423019409
CID:1489737
PubChem ID:5282146
Update Time:2025-04-21
2-Propenoic acid, 3-(2,3-dihydroxyphenyl)-, (2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 3-(2,3-dihydroxyphenyl)-, (2E)-
- 2,3-dihydroxy-trans-cinnamic acid
- DTXSID601030503
- 31082-90-3
- Z1198161241
- 8EU63XMR43
- 3-(2,3-dihydroxyphenyl)-2-propenoic acid
- 3-(2,3-dihydroxyphenyl)prop-2-enoic acid
- (E)-3-(2,3-Dihydroxyphenyl)-2-propenoic acid
- trans-2,3-Dihydroxycinnamate
- UNII-8EU63XMR43
- (2E)-3-(2,3-dihydroxyphenyl)prop-2-enoic acid
- SCHEMBL89185
- CHEBI:32356
- (2E)-3-(2,3-dihydroxyphenyl)acrylic acid
- 38481-04-8
- AKOS006276935
- 3-(2,3-dihydroxyphenyl)acrylic acid
- CHEBI:48681
- (E)-2-PROPENOIC ACID,3-(2,3-DIHYDROXYPHENYL)-
- 1ST178425
- Anthenobilic acid
- CINNAMIC ACID, 2,3-DIHYDROXY-
- EN300-1869319
- 2,3-Dihydroxycinnamic acid
- 2-Propenoic acid, 3-(2,3-dihydroxyphenyl)-
- Q4596762
- (E)-3-(2,3-Dihydroxyphenyl)acrylic acid
- (E)-3-(2,3-dihydroxyphenyl)prop-2-enoic acid
-
- MDL： MFCD03002838
- Inchi： 1S/C9H8O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-5,10,13H,(H,11,12)/b5-4+
- InChI Key： SIUKXCMDYPYCLH-SNAWJCMRSA-N
- SMILES： OC1C(=CC=CC=1/C=C/C(=O)O)O
Computed Properties
- Exact Mass: 180.04224
- Monoisotopic Mass: 180.04225873g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 212
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.2
- Topological Polar Surface Area: 77.8?2
Experimental Properties
- PSA: 77.76
2-Propenoic acid, 3-(2,3-dihydroxyphenyl)-, (2E)- Related Literature
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
Related Categories
- Solvents and Organic Chemicals Organic Compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids
- Solvents and Organic Chemicals Organic Compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Hydroxycinnamic acids
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