Cas no 10457-70-2 (Benzeneacetic acid, a-(1-methylpropylidene)-)
10457-70-2 structure
Product Name:Benzeneacetic acid, a-(1-methylpropylidene)-
CAS No:10457-70-2
MF:C12H14O2
MW:190.238363742828
CID:152066
PubChem ID:5383342
Update Time:2025-04-19
Benzeneacetic acid, a-(1-methylpropylidene)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, a-(1-methylpropylidene)-
- (E)-3-methyl-2-phenylpent-2-enoic acid
- AC1NTL73
- NSC165629
- NSC-165629
- SureCN9818141
- DTXSID20419352
- 10457-70-2
-
- Inchi： 1S/C12H14O2/c1-3-9(2)11(12(13)14)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,13,14)/b11-9+
- InChI Key： AOCKAGPJEHVOTH-PKNBQFBNSA-N
- SMILES： OC(/C(/C1C=CC=CC=1)=C(\C)/CC)=O
Computed Properties
- Exact Mass: 190.09942
- Monoisotopic Mass: 190.09938
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 235
- 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: 3.3
Experimental Properties
- Density: 1.07
- Boiling Point: 296.4°Cat760mmHg
- Flash Point: 202.1°C
- Refractive Index: 1.543
- PSA: 37.3
- LogP: 2.95470
Benzeneacetic acid, a-(1-methylpropylidene)- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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