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89562-63-0 | 4(1H)-Quinolinone, octahydro-2,2-dimethyl-, trans-
CAS No: 89562-63-0 Catalog No: AG003Y98 MDL No:
Product Description
Catalog Number:
AG003Y98
Chemical Name:
4(1H)-Quinolinone, octahydro-2,2-dimethyl-, trans-
CAS Number:
89562-63-0
Molecular Formula:
C11H19NO
Molecular Weight:
181.2747
IUPAC Name:
2,2-dimethyl-1,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
InChI:
InChI=1S/C11H19NO/c1-11(2)7-10(13)8-5-3-4-6-9(8)12-11/h8-9,12H,3-7H2,1-2H3
InChI Key:
RVCWCFSKRYWGDD-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)N[C@H]2[C@H]1CCCC2
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:
2
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:
1.4
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