Cas no 79951-02-3 ((Pyruvoyloxy)acetic acid)
(Pyruvoyloxy)acetic acid structure
Product Name:(Pyruvoyloxy)acetic acid
CAS No:79951-02-3
MF:C5H6O5
MW:146.098142147064
CID:531359
PubChem ID:10176206
Update Time:2025-04-19
(Pyruvoyloxy)acetic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-(2-oxopropanoyloxy)acetic acid
- Propanoic acid, 2-oxo-, carboxymethyl ester
- (Pyruvoyloxy)acetic acid
- SCHEMBL3049017
- DTXSID40436389
- AKOS006384823
- 79951-02-3
-
- Inchi： 1S/C5H6O5/c1-3(6)5(9)10-2-4(7)8/h2H2,1H3,(H,7,8)
- InChI Key： WRKCXTWVOWDGBE-UHFFFAOYSA-N
- SMILES： O(C(C(C)=O)=O)CC(=O)O
Computed Properties
- Exact Mass: 146.02152329g/mol
- Monoisotopic Mass: 146.02152329g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 171
- 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: -0.4
- Topological Polar Surface Area: 80.7?2
(Pyruvoyloxy)acetic acid Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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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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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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