Cas no 14533-92-7 (2-Butenoic acid, 2-cyano-3-phenyl-, ethyl ester, (2E)-)
14533-92-7 structure
Product Name:2-Butenoic acid, 2-cyano-3-phenyl-, ethyl ester, (2E)-
CAS No:14533-92-7
MF:C13H13NO2
MW:215.247823476791
CID:1314739
PubChem ID:688202
Update Time:2025-04-20
2-Butenoic acid, 2-cyano-3-phenyl-, ethyl ester, (2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid, 2-cyano-3-phenyl-, ethyl ester, (2E)-
- 2-Cyano-3-phenyl-3-methyl-propenoic acid, ethyl ester
- (E)-2-Cyano-3-phenyl-but-2-enoic acid ethyl ester
- EN300-06217
- ethyl (2E)-2-cyano-3-phenylbut-2-enoate
- 14533-92-7
- NSC408236
- Ethyl (2E)-2-cyano-3-phenyl-2-butenoate #
- 2-Cyano-3-phenylcrotonic acid ethyl ester
- (e)-2-cyano-3-phenylbut-2-enoic acid ethyl ester
- ethyl (E)-2-cyano-3-phenylbut-2-enoate
- MFCD00182513
- 2-Cyano-3-phenyl-3-methyl-propensaeuremethylester
- Z56943413
- 2-Butenoic acid,2-cyano-3-phenyl-,ethyl ester
- ethyl 2-cyano-3-phenylbut-2-enoate
- .alpha.-Cyano-.beta.-phenyl-methacrylic acid, ethyl ester
- SR-01000195350
- 18300-89-5
- AKOS000281213
- SCHEMBL12446816
- NSC-408236
- SR-01000195350-1
- STL577391
- J-011714
- MFCD00192139
- AS-5190
- (Z)-2-cyano-3-phenyl-2-butenoic acid ethyl ester
-
- MDL： MFCD00182513
- Inchi： 1S/C13H13NO2/c1-3-16-13(15)12(9-14)10(2)11-7-5-4-6-8-11/h4-8H,3H2,1-2H3/b12-10+
- InChI Key： AJDOTEWSLNGINB-ZRDIBKRKSA-N
- SMILES： O(CC)C(/C(/C#N)=C(\C)/C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 215.09469
- Monoisotopic Mass: 215.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 329
- 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
- XLogP3: 3.1
- Topological Polar Surface Area: 50.1?2
Experimental Properties
- PSA: 50.09
2-Butenoic acid, 2-cyano-3-phenyl-, ethyl ester, (2E)- Related Literature
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
14533-92-7 (2-Butenoic acid, 2-cyano-3-phenyl-, ethyl ester, (2E)-) Related Products
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