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Home > Nitro Compounds > 1458593-78-6
1458593-78-6 | 1-methyl-4-nitro-1H-pyrazol-3-ol
CAS No: 1458593-78-6 Catalog No: AG01AOST MDL No:MFCD28155602
Product Description
Catalog Number:
AG01AOST
Chemical Name:
1-methyl-4-nitro-1H-pyrazol-3-ol
CAS Number:
1458593-78-6
Molecular Formula:
C4H5N3O3
Molecular Weight:
143.1008
MDL Number:
MFCD28155602
IUPAC Name:
2-methyl-4-nitro-1H-pyrazol-5-one
InChI:
InChI=1S/C4H5N3O3/c1-6-2-3(7(9)10)4(8)5-6/h2H,1H3,(H,5,8)
InChI Key:
FERLTMWGMBPYCM-UHFFFAOYSA-N
SMILES:
Cn1nc(c(c1)[N+](=O)[O-])O
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.033g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
143.102g/mol
Monoisotopic Mass:
143.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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