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Home > Nitro Compounds > 188746-05-6
188746-05-6 | 1,3-Propanediol, 2-nitro-2-(2-propen-1-yl)-
CAS No: 188746-05-6 Catalog No: AG002H9H MDL No:
Product Description
Catalog Number:
AG002H9H
Chemical Name:
1,3-Propanediol, 2-nitro-2-(2-propen-1-yl)-
CAS Number:
188746-05-6
Molecular Formula:
C6H11NO4
Molecular Weight:
161.1558
IUPAC Name:
2-nitro-2-prop-2-enylpropane-1,3-diol
InChI:
InChI=1S/C6H11NO4/c1-2-3-6(4-8,5-9)7(10)11/h2,8-9H,1,3-5H2
InChI Key:
ROFHYYKSLGTXJN-UHFFFAOYSA-N
SMILES:
OCC([N+](=O)[O-])(CC=C)CO
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.069g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
161.157g/mol
Monoisotopic Mass:
161.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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