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166442-37-1 | Benzoic acid, 4-(acetylamino)-2-[4-(dimethylamino)-2-hydroxybenzoyl]-
CAS No: 166442-37-1 Catalog No: AG001WR2 MDL No:
Product Description
Catalog Number:
AG001WR2
Chemical Name:
Benzoic acid, 4-(acetylamino)-2-[4-(dimethylamino)-2-hydroxybenzoyl]-
CAS Number:
166442-37-1
Molecular Formula:
C18H18N2O5
Molecular Weight:
342.3459
IUPAC Name:
4-acetamido-2-[4-(dimethylamino)-2-hydroxybenzoyl]benzoic acid
InChI:
InChI=1S/C18H18N2O5/c1-10(21)19-11-4-6-13(18(24)25)15(8-11)17(23)14-7-5-12(20(2)3)9-16(14)22/h4-9,22H,1-3H3,(H,19,21)(H,24,25)
InChI Key:
WCNJYYOJSXOYND-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(c(c1)C(=O)c1ccc(cc1O)N(C)C)C(=O)O
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.122g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
342.351g/mol
Monoisotopic Mass:
342.122g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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