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921938-82-1

921938-82-1 | Butanoic acid, 2-(benzoylamino)-3-oxo-, 1-methylethyl ester

CAS No: 921938-82-1 Catalog No: AG006FT4 MDL No:

Product Description

Catalog Number:
AG006FT4
Chemical Name:
Butanoic acid, 2-(benzoylamino)-3-oxo-, 1-methylethyl ester
CAS Number:
921938-82-1
Molecular Formula:
C14H17NO4
Molecular Weight:
263.2891
IUPAC Name:
propan-2-yl 2-benzamido-3-oxobutanoate
InChI:
InChI=1S/C14H17NO4/c1-9(2)19-14(18)12(10(3)16)15-13(17)11-7-5-4-6-8-11/h4-9,12H,1-3H3,(H,15,17)
InChI Key:
XUIZLYOAWXOUCJ-UHFFFAOYSA-N
SMILES:
CC(OC(=O)C(C(=O)C)NC(=O)c1ccccc1)C

Properties

Complexity:
345  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.116g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
263.293g/mol
Monoisotopic Mass:
263.116g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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