Cas no 22138-51-8 ((S)-Benzoyloxy-bernsteinsaeure)
22138-51-8 structure
Product Name:(S)-Benzoyloxy-bernsteinsaeure
CAS No:22138-51-8
MF:C11H10O6
MW:238.193503856659
CID:2061212
PubChem ID:13953341
Update Time:2025-04-21
(S)-Benzoyloxy-bernsteinsaeure Chemical and Physical Properties
Names and Identifiers
-
- (S)-Benzoyloxy-bernsteinsaeure
- (S)-benzoyloxy-succinic acid
- malic acid benzoate
- (-)-2-O-Benzoyl-L-malic acid
- Benzoylmalic acid
- SCHEMBL8075392
- 2-benzoyloxybutanedioic acid
- CHEBI:174225
- 22138-51-8
- 2-(benzoyloxy)butanedioic acid
-
- Inchi： 1S/C11H10O6/c12-9(13)6-8(10(14)15)17-11(16)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)(H,14,15)
- InChI Key： NVPJTXMOQCANSN-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1)=O)C(C(=O)O)CC(=O)O
Computed Properties
- Exact Mass: 238.04773803g/mol
- Monoisotopic Mass: 238.04773803g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 305
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 101?2
(S)-Benzoyloxy-bernsteinsaeure Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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