Cas no 57585-08-7 (2,3-Butadienoic acid, 4-phenyl-)
57585-08-7 structure
Product Name:2,3-Butadienoic acid, 4-phenyl-
CAS No:57585-08-7
MF:C10H8O2
MW:160.169322967529
CID:344874
PubChem ID:135440073
Update Time:2025-04-19
2,3-Butadienoic acid, 4-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,3-Butadienoic acid, 4-phenyl-
- InChI=1/C10H8O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-8H,(H,11,12
- 4-phenylbuta-2,3-dienoic acid
- SCHEMBL10047293
- 4-phenylbut-3-enoate
- 2,3-BUTADIENOIC ACID,4-PHENYL
- DTXSID20348491
- 57585-08-7
- (S)-4-Phenylbutane-2,3-dienoic acid
- 19131-89-6
-
- Inchi： 1S/C10H8O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-8H
- InChI Key： JVEMEPSGBPRQIH-UHFFFAOYSA-N
- SMILES： [O-]C(C=C[CH+]C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 160.05244
- Monoisotopic Mass: 160.052429494g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 161
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 3.1
- Topological Polar Surface Area: 40.1?2
Experimental Properties
- PSA: 37.3
2,3-Butadienoic acid, 4-phenyl- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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