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Home > Nitro Compounds > 20132-18-7
20132-18-7 | Ethanol, 2-(1-methyl-2-nitroethoxy)-
CAS No: 20132-18-7 Catalog No: AG002DBR MDL No:
Product Description
Catalog Number:
AG002DBR
Chemical Name:
Ethanol, 2-(1-methyl-2-nitroethoxy)-
CAS Number:
20132-18-7
Molecular Formula:
C5H11NO4
Molecular Weight:
149.1451
IUPAC Name:
2-(1-nitropropan-2-yloxy)ethanol
InChI:
InChI=1S/C5H11NO4/c1-5(4-6(8)9)10-3-2-7/h5,7H,2-4H2,1H3
InChI Key:
UQIVAZLWXPNJDX-UHFFFAOYSA-N
SMILES:
OCCOC(C[N+](=O)[O-])C
Properties
Complexity:
100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.069g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
149.146g/mol
Monoisotopic Mass:
149.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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