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161235-54-7 | 1H-Pyrazole-3-carboxylic acid, 5-methoxy-4-nitro-
CAS No: 161235-54-7 Catalog No: AG001SAJ MDL No:MFCD02055705
Product Description
Catalog Number:
AG001SAJ
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-methoxy-4-nitro-
CAS Number:
161235-54-7
Molecular Formula:
C5H5N3O5
Molecular Weight:
187.1103
MDL Number:
MFCD02055705
IUPAC Name:
3-methoxy-4-nitro-1H-pyrazole-5-carboxylic acid
InChI:
InChI=1S/C5H5N3O5/c1-13-4-3(8(11)12)2(5(9)10)6-7-4/h1H3,(H,6,7)(H,9,10)
InChI Key:
HJFXXMSEEKEXMZ-UHFFFAOYSA-N
SMILES:
COc1[nH]nc(c1[N+](=O)[O-])C(=O)O
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.023g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.111g/mol
Monoisotopic Mass:
187.023g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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