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Home > Nitro Compounds > 3156-73-8
3156-73-8 | 1-nitropropan-2-ol
CAS No: 3156-73-8 Catalog No: AG01ALQ0 MDL No:MFCD00506013
Product Description
Catalog Number:
AG01ALQ0
Chemical Name:
1-nitropropan-2-ol
CAS Number:
3156-73-8
Molecular Formula:
C3H7NO3
Molecular Weight:
105.0926
MDL Number:
MFCD00506013
IUPAC Name:
1-nitropropan-2-ol
InChI:
InChI=1S/C3H7NO3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3
InChI Key:
PFNCKQIYLAVYJF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CC(O)C
NSC Number:
17677
Properties
Complexity:
67.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
105.043g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
105.093g/mol
Monoisotopic Mass:
105.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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