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115610-39-4 | Benzoic acid, 2-[(2,4-dihydroxybenzoyl)amino]-4-methoxy-
CAS No: 115610-39-4 Catalog No: AG000G9J MDL No:
Product Description
Catalog Number:
AG000G9J
Chemical Name:
Benzoic acid, 2-[(2,4-dihydroxybenzoyl)amino]-4-methoxy-
CAS Number:
115610-39-4
Molecular Formula:
C15H13NO6
Molecular Weight:
303.2668
IUPAC Name:
2-[(2,4-dihydroxybenzoyl)amino]-4-methoxybenzoic acid
InChI:
InChI=1S/C15H13NO6/c1-22-9-3-5-10(15(20)21)12(7-9)16-14(19)11-4-2-8(17)6-13(11)18/h2-7,17-18H,1H3,(H,16,19)(H,20,21)
InChI Key:
GLXWWDVTVBGZGZ-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)NC(=O)c1ccc(cc1O)O)C(=O)O
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.074g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
303.27g/mol
Monoisotopic Mass:
303.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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