Cas no 20432-26-2 ((2E)-2-phenylbut-2-enoic acid)
(2E)-2-phenylbut-2-enoic acid structure
Product Name:(2E)-2-phenylbut-2-enoic acid
CAS No:20432-26-2
MF:C10H10O2
MW:162.185203075409
CID:909777
PubChem ID:5383389
Update Time:2025-04-19
(2E)-2-phenylbut-2-enoic acid Chemical and Physical Properties
Names and Identifiers
-
- (2E)-2-phenylbut-2-enoic acid
- (E)-2-phenylbut-2-enoic acid
- (E)-2-Phenyl-2-butenoic acid
- 2-phenyl-trans-crotonic acid
- 2-Phenyl-trans-crotonsaeure
- (E)-2-phenyl -2-butenoic acid
- NSC-167082
- HMS1443B21
- IDI1_015654
- 20432-26-2
- NSC167082
- Benzeneacetic acid, alpha-ethylidene-, (alphaE)-
- DB-310164
- AKOS006273583
- Phenylcrotonsaure
- SCHEMBL1996918
-
- Inchi： 1S/C10H10O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h2-7H,1H3,(H,11,12)/b9-2+
- InChI Key： UBJNPHAYKBNFOC-XNWCZRBMSA-N
- SMILES： OC(/C(=C/C)/C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 162.0681
- Monoisotopic Mass: 162.06808
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 188
- 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: 37.3
- XLogP3: 2.2
Experimental Properties
- Density: 1.119
- Boiling Point: 279.6°C at 760 mmHg
- Flash Point: 186°C
- Refractive Index: 1.561
- PSA: 37.3
- LogP: 2.17450
(2E)-2-phenylbut-2-enoic acid Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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