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Home > Nitro Compounds > 130930-29-9
130930-29-9 | 1,2-Propanediol, 3-nitro-
CAS No: 130930-29-9 Catalog No: AG000V41 MDL No:
Product Description
Catalog Number:
AG000V41
Chemical Name:
1,2-Propanediol, 3-nitro-
CAS Number:
130930-29-9
Molecular Formula:
C3H7NO4
Molecular Weight:
121.0920
IUPAC Name:
3-nitropropane-1,2-diol
InChI:
InChI=1S/C3H7NO4/c5-2-3(6)1-4(7)8/h3,5-6H,1-2H2
InChI Key:
KNAFKGCUHDGMGE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CC(CO)O
Properties
Complexity:
77.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.038g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
121.092g/mol
Monoisotopic Mass:
121.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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