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701-58-6 | 5,5-DIMETHYL-3-(METHYLAMINO)-2-CYCLOHEXEN-1-ONE
CAS No: 701-58-6 Catalog No: AG005KS4 MDL No:
Product Description
Catalog Number:
AG005KS4
Chemical Name:
5,5-DIMETHYL-3-(METHYLAMINO)-2-CYCLOHEXEN-1-ONE
CAS Number:
701-58-6
Molecular Formula:
C9H15NO
Molecular Weight:
153.2215
IUPAC Name:
5,5-dimethyl-3-(methylamino)cyclohex-2-en-1-one
InChI:
InChI=1S/C9H15NO/c1-9(2)5-7(10-3)4-8(11)6-9/h4,10H,5-6H2,1-3H3
InChI Key:
KRTIOMAPNBTFRN-UHFFFAOYSA-N
SMILES:
CNC1=CC(=O)CC(C1)(C)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.225g/mol
Monoisotopic Mass:
153.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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