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116464-24-5 | Benzoic acid, [[1-(hydroxyphenyl)-3-(methylphenyl)-3-oxopropyl]amino]- (9CI)
CAS No: 116464-24-5 Catalog No: AG000CJL MDL No:
Product Description
Catalog Number:
AG000CJL
Chemical Name:
Benzoic acid, [[1-(hydroxyphenyl)-3-(methylphenyl)-3-oxopropyl]amino]- (9CI)
CAS Number:
116464-24-5
Molecular Formula:
C23H21NO4
Molecular Weight:
375.4171
IUPAC Name:
2-[[1-(2-hydroxyphenyl)-3-(2-methylphenyl)-3-oxopropyl]amino]benzoic acid
InChI:
InChI=1S/C23H21NO4/c1-15-8-2-3-9-16(15)22(26)14-20(17-10-5-7-13-21(17)25)24-19-12-6-4-11-18(19)23(27)28/h2-13,20,24-25H,14H2,1H3,(H,27,28)
InChI Key:
KDBYXRFWSXHLFJ-UHFFFAOYSA-N
SMILES:
Oc1ccccc1C(Nc1ccccc1C(=O)O)CC(=O)c1ccccc1C
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.147g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
375.424g/mol
Monoisotopic Mass:
375.147g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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