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161155-32-4 | Pyrazolo[4,3-c]pyrazole-3-carboxylic acid, 1,4-dihydro-6-nitro-
CAS No: 161155-32-4 Catalog No: AG001S7E MDL No:
Product Description
Catalog Number:
AG001S7E
Chemical Name:
Pyrazolo[4,3-c]pyrazole-3-carboxylic acid, 1,4-dihydro-6-nitro-
CAS Number:
161155-32-4
Molecular Formula:
C5H3N5O4
Molecular Weight:
197.1084
IUPAC Name:
3-nitro-2,4-dihydropyrazolo[4,3-c]pyrazole-6-carboxylic acid
InChI:
InChI=1S/C5H3N5O4/c11-5(12)3-1-2(7-8-3)4(9-6-1)10(13)14/h(H,6,9)(H,7,8)(H,11,12)
InChI Key:
QQBSADNKEYRGJJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1n[nH]c2c1[nH]nc2C(=O)O
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.019g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
197.11g/mol
Monoisotopic Mass:
197.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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