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30764-23-9 | Benzoic acid, 4-[(1,3-dioxobutyl)amino]-, ethyl ester
CAS No: 30764-23-9 Catalog No: AG00317S MDL No:MFCD00435460
Product Description
Catalog Number:
AG00317S
Chemical Name:
Benzoic acid, 4-[(1,3-dioxobutyl)amino]-, ethyl ester
CAS Number:
30764-23-9
Molecular Formula:
C13H15NO4
Molecular Weight:
249.2625
MDL Number:
MFCD00435460
IUPAC Name:
ethyl 4-(3-oxobutanoylamino)benzoate
InChI:
InChI=1S/C13H15NO4/c1-3-18-13(17)10-4-6-11(7-5-10)14-12(16)8-9(2)15/h4-7H,3,8H2,1-2H3,(H,14,16)
InChI Key:
WGVWLSNSCLVHLC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)NC(=O)CC(=O)C
NSC Number:
142630
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.266g/mol
Monoisotopic Mass:
249.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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