Cas no 105989-35-3 (Butanoic acid, 4-(acetylamino)-3-oxo-, ethyl ester)
105989-35-3 structure
Product Name:Butanoic acid, 4-(acetylamino)-3-oxo-, ethyl ester
CAS No:105989-35-3
MF:C8H13NO4
MW:187.193122625351
CID:1167449
PubChem ID:13813840
Update Time:2025-04-20
Butanoic acid, 4-(acetylamino)-3-oxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 4-(acetylamino)-3-oxo-, ethyl ester
- 4-acetylamino-3-oxo-butyric acid ethyl ester
- 105989-35-3
- DB-106110
-
- Inchi： 1S/C8H13NO4/c1-3-13-8(12)4-7(11)5-9-6(2)10/h3-5H2,1-2H3,(H,9,10)
- InChI Key： UZVQQJYSDROIAI-UHFFFAOYSA-N
- SMILES： O(CC)C(CC(CNC(C)=O)=O)=O
Computed Properties
- Exact Mass: 187.08445790g/mol
- Monoisotopic Mass: 187.08445790g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 212
- 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: -0.3
- Topological Polar Surface Area: 72.5?2
Experimental Properties
- PSA: 72.47000
- LogP: 0.03570
Butanoic acid, 4-(acetylamino)-3-oxo-, ethyl ester Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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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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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
105989-35-3 (Butanoic acid, 4-(acetylamino)-3-oxo-, ethyl ester) Related Products
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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