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Home > Nitro Compounds > 956438-51-0
956438-51-0 | (5-methyl-3-nitro-1H-pyrazol-1-yl)methanol
CAS No: 956438-51-0 Catalog No: AG00JEYO MDL No:MFCD01016816
Product Description
Catalog Number:
AG00JEYO
Chemical Name:
(5-methyl-3-nitro-1H-pyrazol-1-yl)methanol
CAS Number:
956438-51-0
Molecular Formula:
C5H7N3O3
Molecular Weight:
157.1274
MDL Number:
MFCD01016816
IUPAC Name:
(5-methyl-3-nitropyrazol-1-yl)methanol
InChI:
InChI=1S/C5H7N3O3/c1-4-2-5(8(10)11)6-7(4)3-9/h2,9H,3H2,1H3
InChI Key:
TUOHZCIAVPSMBB-UHFFFAOYSA-N
SMILES:
OCn1nc(cc1C)[N+](=O)[O-]
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.049g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.129g/mol
Monoisotopic Mass:
157.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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