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Home > Nitro Compounds > 1006440-62-5
1006440-62-5 | 3-(5-methyl-3-nitro-1H-pyrazol-1-yl)propan-1-ol
CAS No: 1006440-62-5 Catalog No: AG00JEUH MDL No:MFCD06804860
Product Description
Catalog Number:
AG00JEUH
Chemical Name:
3-(5-methyl-3-nitro-1H-pyrazol-1-yl)propan-1-ol
CAS Number:
1006440-62-5
Molecular Formula:
C7H11N3O3
Molecular Weight:
185.1805
MDL Number:
MFCD06804860
IUPAC Name:
3-(5-methyl-3-nitropyrazol-1-yl)propan-1-ol
InChI:
InChI=1S/C7H11N3O3/c1-6-5-7(10(12)13)8-9(6)3-2-4-11/h5,11H,2-4H2,1H3
InChI Key:
XIOXNZFOKSQAEF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(n(n1)CCCO)C
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.183g/mol
Monoisotopic Mass:
185.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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