Cas no 62718-62-1 (2-Propenoic acid, 3-(4-butylphenyl)-, (E)-)
62718-62-1 structure
Product Name:2-Propenoic acid, 3-(4-butylphenyl)-, (E)-
CAS No:62718-62-1
MF:C13H16O2
MW:204.264944076538
CID:434226
PubChem ID:12253179
Update Time:2025-04-19
2-Propenoic acid, 3-(4-butylphenyl)-, (E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 3-(4-butylphenyl)-, (E)-
- SCHEMBL1206901
- (2E)-3-(4-BUTYLPHENYL)PROP-2-ENOIC ACID
- 1209-20-7
- 3-(4-Butylphenyl)acrylic acid
- (E)-3-(4-BUTYLPHENYL)ACRYLIC ACID
- 62718-62-1
- p-n-butylcinnamic acid
- 3-(4-Butylphenyl)acrylicacid
- 2-Propenoic acid, 3-(4-butylphenyl)-
-
- Inchi： 1S/C13H16O2/c1-2-3-4-11-5-7-12(8-6-11)9-10-13(14)15/h5-10H,2-4H2,1H3,(H,14,15)/b10-9+
- InChI Key： PVGUERHYXQFQEE-MDZDMXLPSA-N
- SMILES： OC(/C=C/C1C=CC(=CC=1)CCCC)=O
Computed Properties
- Exact Mass: 204.11508
- Monoisotopic Mass: 204.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 213
- 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: 3.8
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
2-Propenoic acid, 3-(4-butylphenyl)-, (E)- Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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