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89229-79-8 | 2-Cyclohexen-1-one, 3-(dimethylamino)-5,5-dimethyl-2-nitro-
CAS No: 89229-79-8 Catalog No: AG0044GL MDL No:
Product Description
Catalog Number:
AG0044GL
Chemical Name:
2-Cyclohexen-1-one, 3-(dimethylamino)-5,5-dimethyl-2-nitro-
CAS Number:
89229-79-8
Molecular Formula:
C10H16N2O3
Molecular Weight:
212.2456
IUPAC Name:
3-(dimethylamino)-5,5-dimethyl-2-nitrocyclohex-2-en-1-one
InChI:
InChI=1S/C10H16N2O3/c1-10(2)5-7(11(3)4)9(12(14)15)8(13)6-10/h5-6H2,1-4H3
InChI Key:
XVFRPYMYBSMZPG-UHFFFAOYSA-N
SMILES:
CN(C1=C([N+](=O)[O-])C(=O)CC(C1)(C)C)C
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.249g/mol
Monoisotopic Mass:
212.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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