Cas no 70625-63-7 (methyl (2E)-2-cyano-3-(2-methylphenyl)prop-2-enoate)
70625-63-7 structure
Product Name:methyl (2E)-2-cyano-3-(2-methylphenyl)prop-2-enoate
CAS No:70625-63-7
MF:C12H11NO2
MW:201.221243143082
CID:1745246
PubChem ID:2305086
Update Time:2025-04-21
methyl (2E)-2-cyano-3-(2-methylphenyl)prop-2-enoate Chemical and Physical Properties
Names and Identifiers
-
- methyl (2E)-2-cyano-3-(2-methylphenyl)prop-2-enoate
- Methyl 2-cyano-3-(2-methylphenyl)-2-propenoate
- 2-Propenoic acid, 2-cyano-3-(2-methylphenyl)-, methyl ester
- methyl (E)-2-cyano-3-(2-methylphenyl)prop-2-enoate
- HMS1667P18
- SCHEMBL1399285
- 70625-63-7
- CCG-250002
- F6782-6951
- AKOS000957582
-
- Inchi： 1S/C12H11NO2/c1-9-5-3-4-6-10(9)7-11(8-13)12(14)15-2/h3-7H,1-2H3/b11-7+
- InChI Key： UAHBSTHMSSDNRL-YRNVUSSQSA-N
- SMILES： O(C)C(/C(/C#N)=C/C1C=CC=CC=1C)=O
Computed Properties
- Exact Mass: 201.07903
- Monoisotopic Mass: 201.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 311
- 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: 2.5
- Topological Polar Surface Area: 50.1?2
Experimental Properties
- PSA: 50.09
methyl (2E)-2-cyano-3-(2-methylphenyl)prop-2-enoate Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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