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89433-89-6 | Benzoic acid, 4-[5-amino-4-[(hydroxyamino)carbonyl]-1H-pyrazol-1-yl]-
CAS No: 89433-89-6 Catalog No: AG0044QK MDL No:
Product Description
Catalog Number:
AG0044QK
Chemical Name:
Benzoic acid, 4-[5-amino-4-[(hydroxyamino)carbonyl]-1H-pyrazol-1-yl]-
CAS Number:
89433-89-6
Molecular Formula:
C11H10N4O4
Molecular Weight:
262.2215
IUPAC Name:
4-[5-amino-4-(hydroxycarbamoyl)pyrazol-1-yl]benzoic acid
InChI:
InChI=1S/C11H10N4O4/c12-9-8(10(16)14-19)5-13-15(9)7-3-1-6(2-4-7)11(17)18/h1-5,19H,12H2,(H,14,16)(H,17,18)
InChI Key:
PKTKOTMGQOQWGP-UHFFFAOYSA-N
SMILES:
ONC(=O)c1cnn(c1N)c1ccc(cc1)C(=O)O
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.07g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
262.225g/mol
Monoisotopic Mass:
262.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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