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Home > Nitro Compounds > 17697-36-8
17697-36-8 | Propane, 1-methoxy-2-methyl-2-nitro-
CAS No: 17697-36-8 Catalog No: AG002517 MDL No:
Product Description
Catalog Number:
AG002517
Chemical Name:
Propane, 1-methoxy-2-methyl-2-nitro-
CAS Number:
17697-36-8
Molecular Formula:
C5H11NO3
Molecular Weight:
133.1457
IUPAC Name:
1-methoxy-2-methyl-2-nitropropane
InChI:
InChI=1S/C5H11NO3/c1-5(2,4-9-3)6(7)8/h4H2,1-3H3
InChI Key:
PMCQVNJEQPDZGB-UHFFFAOYSA-N
SMILES:
COCC([N+](=O)[O-])(C)C
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.074g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
133.147g/mol
Monoisotopic Mass:
133.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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