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177653-17-7 | Benzenebutanoic acid, 4-(benzoylamino)-
CAS No: 177653-17-7 Catalog No: AG0025FC MDL No:
Product Description
Catalog Number:
AG0025FC
Chemical Name:
Benzenebutanoic acid, 4-(benzoylamino)-
CAS Number:
177653-17-7
Molecular Formula:
C17H17NO3
Molecular Weight:
283.3218
IUPAC Name:
4-(4-benzamidophenyl)butanoic acid
InChI:
InChI=1S/C17H17NO3/c19-16(20)8-4-5-13-9-11-15(12-10-13)18-17(21)14-6-2-1-3-7-14/h1-3,6-7,9-12H,4-5,8H2,(H,18,21)(H,19,20)
InChI Key:
ULVZWMUGKCFLMV-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1ccc(cc1)CCCC(=O)O
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
283.327g/mol
Monoisotopic Mass:
283.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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