Cas no 88153-39-3 (Butanoic acid, 2-(phenylmethylene)-, (Z)-)
88153-39-3 structure
Product Name:Butanoic acid, 2-(phenylmethylene)-, (Z)-
CAS No:88153-39-3
MF:C11H12O2
MW:176.211783409119
CID:642956
PubChem ID:235117
Update Time:2025-04-19
Butanoic acid, 2-(phenylmethylene)-, (Z)- Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 2-(phenylmethylene)-, (Z)-
- 2-benzylidenebutanoic acid
- benzal butyric acid
- 2-(phenylmethylidene)butanoic acid
- DTXSID90284190
- 88153-39-3
- 620-78-0
- AKOS030239971
- alpha-ethyl cinnamic acid
- RUETZBUVTWCCIZ-UHFFFAOYSA-N
- SCHEMBL57683
-
- Inchi: 1S/C11H12O2/c1-2-10(11(12)13)8-9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,12,13)
- InChI Key: RUETZBUVTWCCIZ-UHFFFAOYSA-N
- SMILES: OC(C(=CC1C=CC=CC=1)CC)=O
Computed Properties
- Exact Mass: 176.083729621g/mol
- Monoisotopic Mass: 176.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 200
- 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: 2.7
- Topological Polar Surface Area: 37.3?2
Butanoic acid, 2-(phenylmethylene)-, (Z)- Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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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
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
88153-39-3 (Butanoic acid, 2-(phenylmethylene)-, (Z)-) Related Products
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