Cas no 91990-19-1 (2-Propenoic acid, (2-methylphenyl)methyl ester)
91990-19-1 structure
Product Name:2-Propenoic acid, (2-methylphenyl)methyl ester
CAS No:91990-19-1
MF:C11H12O2
MW:176.211783409119
CID:747856
PubChem ID:20129720
Update Time:2025-04-19
2-Propenoic acid, (2-methylphenyl)methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, (2-methylphenyl)methyl ester
- (2-methylphenyl)methyl prop-2-enoate
- 91990-19-1
- SCHEMBL1591973
- DTXSID40602769
-
- Inchi： 1S/C11H12O2/c1-3-11(12)13-8-10-7-5-4-6-9(10)2/h3-7H,1,8H2,2H3
- InChI Key： XQGNVGAVZKVCBE-UHFFFAOYSA-N
- SMILES： O(C(C=C)=O)CC1C=CC=CC=1C
Computed Properties
- Exact Mass: 176.083729621g/mol
- Monoisotopic Mass: 176.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 187
- 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: 2.6
- Topological Polar Surface Area: 26.3?2
2-Propenoic acid, (2-methylphenyl)methyl ester Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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