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Home > Nitro Compounds > 192045-61-7
192045-61-7 | 1-Propanol, 2-nitro-, (2S)-
CAS No: 192045-61-7 Catalog No: AG002FLR MDL No:
Product Description
Catalog Number:
AG002FLR
Chemical Name:
1-Propanol, 2-nitro-, (2S)-
CAS Number:
192045-61-7
Molecular Formula:
C3H7NO3
Molecular Weight:
105.0926
IUPAC Name:
(2S)-2-nitropropan-1-ol
InChI:
InChI=1S/C3H7NO3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3/t3-/m0/s1
InChI Key:
PCNWBUOSTLGPMI-VKHMYHEASA-N
SMILES:
[O-][N+](=O)[C@H](CO)C
Properties
Complexity:
67.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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