Cas no 77320-41-3 (Methyl 2-benzamido-3-oxobutanoate)
77320-41-3 structure
Product Name:Methyl 2-benzamido-3-oxobutanoate
CAS No:77320-41-3
MF:C12H13NO4
MW:235.235923528671
CID:883462
PubChem ID:273397
Update Time:2025-04-19
Methyl 2-benzamido-3-oxobutanoate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 2-benzamido-3-oxobutanoate
- 2-benzoylamino-3-oxo-butyric acid methyl ester
- 2-Benzoylamino-acetessigsaeure-methylester
- 2-benzoylamino-acetoacetic acid methyl ester
- AC1L6T3O
- AC1Q5KV7
- AG-J-25762
- AR-1J4415
- CTK5E4269
- methyl 2-(benzoylamido)-3-oxobutanoate
- methyl 2-(benzoylamino)-3-oxobutanoate
- methyl 2-(Benzoylamino)-3-oxobutyrate
- methyl 2-benzamido-3-oxo-butanoate
- methyl 2-benzoylamino-3-oxobutanoate
- NSC118631
- SureCN2493020
- NSC-118631
- 77320-41-3
- DTXSID40297856
- SCHEMBL2493020
- DB-133811
- 2-(Benzoylamino)-3-oxobutanoic acid methyl ester
-
- Inchi： 1S/C12H13NO4/c1-8(14)10(12(16)17-2)13-11(15)9-6-4-3-5-7-9/h3-7,10H,1-2H3,(H,13,15)
- InChI Key： HZLTXEVQQJCKPL-UHFFFAOYSA-N
- SMILES： O(C)C(C(C(C)=O)NC(C1C=CC=CC=1)=O)=O
Computed Properties
- Exact Mass: 235.08449
- Monoisotopic Mass: 235.08445790g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 308
- 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: 1.1
- Topological Polar Surface Area: 72.5?2
Experimental Properties
- PSA: 72.47
- LogP: 0.93790
Methyl 2-benzamido-3-oxobutanoate Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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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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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
77320-41-3 (Methyl 2-benzamido-3-oxobutanoate) Related Products
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- 79893-89-3(Bz-Thr-OMe)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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