Cas no 73529-13-2 (2-Propenoic acid, 2-cyano-3,3-diphenyl-, octyl ester)
73529-13-2 structure
Product Name:2-Propenoic acid, 2-cyano-3,3-diphenyl-, octyl ester
CAS No:73529-13-2
MF:C24H27NO2
MW:361.47668671608
CID:530880
PubChem ID:18414813
Update Time:2025-04-19
2-Propenoic acid, 2-cyano-3,3-diphenyl-, octyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 2-cyano-3,3-diphenyl-, octyl ester
- octyl 2-cyano-3,3-diphenylprop-2-enoate
- 73529-13-2
- SCHEMBL1123572
- DTXSID80593566
-
- Inchi： 1S/C24H27NO2/c1-2-3-4-5-6-13-18-27-24(26)22(19-25)23(20-14-9-7-10-15-20)21-16-11-8-12-17-21/h7-12,14-17H,2-6,13,18H2,1H3
- InChI Key： MEYMMPIRYSIUTK-UHFFFAOYSA-N
- SMILES： O(C(/C(/C#N)=C(\C1C=CC=CC=1)/C1C=CC=CC=1)=O)CCCCCCCC
Computed Properties
- Exact Mass: 361.204179104g/mol
- Monoisotopic Mass: 361.204179104g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 27
- Rotatable Bond Count: 11
- Complexity: 496
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.4
- Topological Polar Surface Area: 50.1?2
2-Propenoic acid, 2-cyano-3,3-diphenyl-, octyl ester Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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