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23642-62-8 | Butanoic acid, 4-oxo-4-[phenyl(phenylmethyl)amino]-
CAS No: 23642-62-8 Catalog No: AG002O0T MDL No:
Product Description
Catalog Number:
AG002O0T
Chemical Name:
Butanoic acid, 4-oxo-4-[phenyl(phenylmethyl)amino]-
CAS Number:
23642-62-8
Molecular Formula:
C17H17NO3
Molecular Weight:
283.3218
IUPAC Name:
4-(N-benzylanilino)-4-oxobutanoic acid
InChI:
InChI=1S/C17H17NO3/c19-16(11-12-17(20)21)18(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,20,21)
InChI Key:
BTNJGDMPGSFOPV-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(=O)N(c1ccccc1)Cc1ccccc1
Properties
Complexity:
344
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:
1
Isotope Atom Count:
0
Molecular Weight:
283.327g/mol
Monoisotopic Mass:
283.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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