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115445-65-3 | 1H-Pyrazole-4-carboxylic acid, 5-[(2-hydroxybenzoyl)amino]-1-methyl-
CAS No: 115445-65-3 Catalog No: AG000G0E MDL No:
Product Description
Catalog Number:
AG000G0E
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 5-[(2-hydroxybenzoyl)amino]-1-methyl-
CAS Number:
115445-65-3
Molecular Formula:
C12H11N3O4
Molecular Weight:
261.2334
IUPAC Name:
5-[(2-hydroxybenzoyl)amino]-1-methylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C12H11N3O4/c1-15-10(8(6-13-15)12(18)19)14-11(17)7-4-2-3-5-9(7)16/h2-6,16H,1H3,(H,14,17)(H,18,19)
InChI Key:
ZAFXSNCHZYOBMD-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1O)Nc1n(C)ncc1C(=O)O
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.075g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
261.237g/mol
Monoisotopic Mass:
261.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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