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18213-79-1 | 1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(nitrosoamino)-
CAS No: 18213-79-1 Catalog No: AG0023EM MDL No:
Product Description
Catalog Number:
AG0023EM
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(nitrosoamino)-
CAS Number:
18213-79-1
Molecular Formula:
C5H6N4O3
Molecular Weight:
170.1261
IUPAC Name:
1-methyl-5-(2-oxohydrazinyl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C5H6N4O3/c1-9-4(7-8-12)3(2-6-9)5(10)11/h2H,1H3,(H,7,12)(H,10,11)
InChI Key:
OQINEQJTMWMLIP-UHFFFAOYSA-N
SMILES:
O=NNc1n(C)ncc1C(=O)O
NSC Number:
114516
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.044g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
170.128g/mol
Monoisotopic Mass:
170.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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