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162753-02-8 | Butanoic acid, 4-[[4-(acetyloxy)phenyl]amino]-4-oxo-
CAS No: 162753-02-8 Catalog No: AG001TEC MDL No:
Product Description
Catalog Number:
AG001TEC
Chemical Name:
Butanoic acid, 4-[[4-(acetyloxy)phenyl]amino]-4-oxo-
CAS Number:
162753-02-8
Molecular Formula:
C12H13NO5
Molecular Weight:
251.2353
IUPAC Name:
4-(4-acetyloxyanilino)-4-oxobutanoic acid
InChI:
InChI=1S/C12H13NO5/c1-8(14)18-10-4-2-9(3-5-10)13-11(15)6-7-12(16)17/h2-5H,6-7H2,1H3,(H,13,15)(H,16,17)
InChI Key:
PHHLUAKNRYKYJN-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(=O)Nc1ccc(cc1)OC(=O)C
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.238g/mol
Monoisotopic Mass:
251.079g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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