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91339-90-1 | 1,7-Dimethyl-2,3,4,6,7,8-hexahydroquinolin-5(1H)-one
CAS No: 91339-90-1 Catalog No: AG003A5P MDL No:
Product Description
Catalog Number:
AG003A5P
Chemical Name:
1,7-Dimethyl-2,3,4,6,7,8-hexahydroquinolin-5(1H)-one
CAS Number:
91339-90-1
Molecular Formula:
C11H17NO
Molecular Weight:
179.2588
IUPAC Name:
1,7-dimethyl-2,3,4,6,7,8-hexahydroquinolin-5-one
InChI:
InChI=1S/C11H17NO/c1-8-6-10-9(11(13)7-8)4-3-5-12(10)2/h8H,3-7H2,1-2H3
InChI Key:
NXYNAYAZOSNWNU-UHFFFAOYSA-N
SMILES:
CC1CC(=O)C2=C(C1)N(C)CCC2
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.263g/mol
Monoisotopic Mass:
179.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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