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88500-16-7 | 2(1H)-Quinolinone, octahydro-3,3-dimethyl-, trans-
CAS No: 88500-16-7 Catalog No: AG004959 MDL No:
Product Description
Catalog Number:
AG004959
Chemical Name:
2(1H)-Quinolinone, octahydro-3,3-dimethyl-, trans-
CAS Number:
88500-16-7
Molecular Formula:
C11H19NO
Molecular Weight:
181.2747
IUPAC Name:
3,3-dimethyl-1,4,4a,5,6,7,8,8a-octahydroquinolin-2-one
InChI:
InChI=1S/C11H19NO/c1-11(2)7-8-5-3-4-6-9(8)12-10(11)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChI Key:
GCYUVYAKSGFVBR-UHFFFAOYSA-N
SMILES:
O=C1N[C@@H]2CCCC[C@H]2CC1(C)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.147g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.279g/mol
Monoisotopic Mass:
181.147g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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