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85448-87-9 | Benzoic acid, 2-[4-[ethyl(phenylmethyl)amino]-2-hydroxybenzoyl]-
CAS No: 85448-87-9 Catalog No: AG004NND MDL No:
Product Description
Catalog Number:
AG004NND
Chemical Name:
Benzoic acid, 2-[4-[ethyl(phenylmethyl)amino]-2-hydroxybenzoyl]-
CAS Number:
85448-87-9
Molecular Formula:
C23H21NO4
Molecular Weight:
375.4171
IUPAC Name:
2-[4-[benzyl(ethyl)amino]-2-hydroxybenzoyl]benzoic acid
InChI:
InChI=1S/C23H21NO4/c1-2-24(15-16-8-4-3-5-9-16)17-12-13-20(21(25)14-17)22(26)18-10-6-7-11-19(18)23(27)28/h3-14,25H,2,15H2,1H3,(H,27,28)
InChI Key:
QJHDXCVOHHUMMG-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(c(c1)O)C(=O)c1ccccc1C(=O)O)Cc1ccccc1
Properties
Complexity:
531
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:
2
Isotope Atom Count:
0
Molecular Weight:
375.424g/mol
Monoisotopic Mass:
375.147g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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