Cas no 652132-67-7 (2-Propenoic acid, 2-methyl-, 2-oxo-2-phenoxyethyl ester)
652132-67-7 structure
Product Name:2-Propenoic acid, 2-methyl-, 2-oxo-2-phenoxyethyl ester
CAS No:652132-67-7
MF:C12H12O4
MW:220.221283912659
CID:402773
PubChem ID:68072087
Update Time:2025-04-19
2-Propenoic acid, 2-methyl-, 2-oxo-2-phenoxyethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 2-methyl-, 2-oxo-2-phenoxyethyl ester
- (2-oxo-2-phenoxyethyl) 2-methylprop-2-enoate
- 2-Oxo-2-phenoxyethyl 2-methylprop-2-enoate
- 652132-67-7
- SCHEMBL10234471
- DTXSID70737937
-
- Inchi： 1S/C12H12O4/c1-9(2)12(14)15-8-11(13)16-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3
- InChI Key： RUZLBQPQBUBDNF-UHFFFAOYSA-N
- SMILES： O(C(COC(C(=C)C)=O)=O)C1C=CC=CC=1
Computed Properties
- Exact Mass: 220.07356
- Monoisotopic Mass: 220.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 277
- 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: 52.6?2
Experimental Properties
- PSA: 52.6
2-Propenoic acid, 2-methyl-, 2-oxo-2-phenoxyethyl ester Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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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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