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77785-03-6 | 6(2H)-Isoquinolinone, 1,3,4,7,8,8a-hexahydro-2,8-dimethyl-
CAS No: 77785-03-6 Catalog No: AG005RR5 MDL No:
Product Description
Catalog Number:
AG005RR5
Chemical Name:
6(2H)-Isoquinolinone, 1,3,4,7,8,8a-hexahydro-2,8-dimethyl-
CAS Number:
77785-03-6
Molecular Formula:
C11H17NO
Molecular Weight:
179.2588
IUPAC Name:
2,8-dimethyl-1,3,4,7,8,8a-hexahydroisoquinolin-6-one
InChI:
InChI=1S/C11H17NO/c1-8-5-10(13)6-9-3-4-12(2)7-11(8)9/h6,8,11H,3-5,7H2,1-2H3
InChI Key:
QEIUTPLQMUIEDS-UHFFFAOYSA-N
SMILES:
CN1CCC2=CC(=O)CC(C2C1)C
Properties
Complexity:
257
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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