Cas no 28374-93-8 (2-Propenoic acid,3-(3,5-dihydroxyphenyl)-)
28374-93-8 structure
Product Name:2-Propenoic acid,3-(3,5-dihydroxyphenyl)-
CAS No:28374-93-8
MF:C9H8O4
MW:180.157423019409
CID:279406
PubChem ID:6443769
Update Time:2025-04-19
2-Propenoic acid,3-(3,5-dihydroxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid,3-(3,5-dihydroxyphenyl)-
- (2E)-3-(3,5-Dihydroxyphenyl)acrylic acid
- 3,5-dihydroxycinnamic acid
- 2-propenoic acid, 3-(3,5-dihydroxyphenyl)-, (2E)-
- 2-Propenoic acid, 3-(3,5-dihydroxyphenyl)-
- Q4634087
- 9PD8QLS6G8
- 28374-93-8
- 3,5-Dihydroxycinnamic acid, 8CI
- (E)-3-(3,5-dihydroxyphenyl)prop-2-enoic acid
- 3_5_dihydroxy_cinnamic_acid
- DTXSID301030504
- 3-(3,5-Dihydroxyphenyl)acrylic acid
- SCHEMBL1659793
- (2E)-3-(3,5-Dihydroxyphenyl)-2-propenoic acid
- Cinnamic acid, 3,5-dihydroxy-
- MFCD03002833
- D81623
- 3-(3,5-Dihydroxyphenyl)-2-propenoic acid
- AKOS006276931
- (2E)-3-(3,5-DIHYDROXYPHENYL)PROP-2-ENOIC ACID
- UNII-9PD8QLS6G8
- CHEBI:189723
- CS-0158508
- 127791-54-2
- (E)-3-(3,5-Dihydroxyphenyl)acrylic acid
-
- Inchi： 1S/C9H8O4/c10-7-3-6(1-2-9(12)13)4-8(11)5-7/h1-5,10-11H,(H,12,13)/b2-1+
- InChI Key： MFFCZSWTQMCKFP-OWOJBTEDSA-N
- SMILES： OC1C=C(C=C(/C=C/C(=O)O)C=1)O
Computed Properties
- Exact Mass: 180.04224
- Monoisotopic Mass: 180.042259
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 202
- 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
- Topological Polar Surface Area: 77.8
- XLogP3: 1.2
Experimental Properties
- Density: 1.478
- Boiling Point: 431.8°Cat760mmHg
- Flash Point: 229.1°C
- Refractive Index: 1.706
- PSA: 77.76
- LogP: 1.19560
2-Propenoic acid,3-(3,5-dihydroxyphenyl)- Related Literature
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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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