Cas no 795274-97-4 (Benzeneacetic acid, a-(hydroxymethylene)-2-methyl-,ethyl ester)
795274-97-4 structure
Product Name:Benzeneacetic acid, a-(hydroxymethylene)-2-methyl-,ethyl ester
CAS No:795274-97-4
MF:C12H14O3
MW:206.237763881683
CID:556467
PubChem ID:12140425
Update Time:2025-04-19
Benzeneacetic acid, a-(hydroxymethylene)-2-methyl-,ethyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzeneacetic acid, a-(hydroxymethylene)-2-methyl-,ethyl ester
- Benzeneacetic acid, alpha-(hydroxymethylene)-2-methyl-, ethyl ester (9CI)
- 795274-97-4
- Benzeneacetic acid,alpha-(hydroxymethylene)-2-methyl-,ethyl ester(9ci)
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- Inchi： 1S/C12H14O3/c1-3-15-12(14)11(8-13)10-7-5-4-6-9(10)2/h4-8,13H,3H2,1-2H3/b11-8-
- InChI Key： NFFVYZINOHIIAI-FLIBITNWSA-N
- SMILES： O(CC)C(/C(=C\O)/C1C=CC=CC=1C)=O
Computed Properties
- Exact Mass: 206.094
- Monoisotopic Mass: 206.094
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 245
- 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
- Topological Polar Surface Area: 46.5A^2
- XLogP3: 2.9
Benzeneacetic acid, a-(hydroxymethylene)-2-methyl-,ethyl ester Related Literature
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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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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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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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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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