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Home > Nitro Compounds > 89706-90-1
89706-90-1 | Hexanoic acid, 6,6-dimethoxy-2-methyl-4-nitro-, methyl ester
CAS No: 89706-90-1 Catalog No: AG0043Y0 MDL No:
Product Description
Catalog Number:
AG0043Y0
Chemical Name:
Hexanoic acid, 6,6-dimethoxy-2-methyl-4-nitro-, methyl ester
CAS Number:
89706-90-1
Molecular Formula:
C10H19NO6
Molecular Weight:
249.2610
IUPAC Name:
methyl 6,6-dimethoxy-2-methyl-4-nitrohexanoate
InChI:
InChI=1S/C10H19NO6/c1-7(10(12)17-4)5-8(11(13)14)6-9(15-2)16-3/h7-9H,5-6H2,1-4H3
InChI Key:
ZWDHMNCCXBPEEI-UHFFFAOYSA-N
SMILES:
COC(CC([N+](=O)[O-])CC(C(=O)OC)C)OC
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.263g/mol
Monoisotopic Mass:
249.121g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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