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Home > Nitro Compounds > 956951-01-2
956951-01-2 | 2-(3-nitro-1H-pyrazol-1-yl)ethanol
CAS No: 956951-01-2 Catalog No: AG00JEUM MDL No:MFCD06804918
Product Description
Catalog Number:
AG00JEUM
Chemical Name:
2-(3-nitro-1H-pyrazol-1-yl)ethanol
CAS Number:
956951-01-2
Molecular Formula:
C5H7N3O3
Molecular Weight:
157.1274
MDL Number:
MFCD06804918
IUPAC Name:
2-(3-nitropyrazol-1-yl)ethanol
InChI:
InChI=1S/C5H7N3O3/c9-4-3-7-2-1-5(6-7)8(10)11/h1-2,9H,3-4H2
InChI Key:
ZNXOQNWQSFRXTL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccn(n1)CCO
Properties
Complexity:
146
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:
2
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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