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102058-65-1 | 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-5-hydroxy-1,4a-dimethyl-
CAS No: 102058-65-1 Catalog No: AG0006GV MDL No:
Product Description
Catalog Number:
AG0006GV
Chemical Name:
2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-5-hydroxy-1,4a-dimethyl-
CAS Number:
102058-65-1
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
5-hydroxy-1,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
InChI:
InChI=1S/C12H18O2/c1-8-9-4-3-5-11(14)12(9,2)7-6-10(8)13/h11,14H,3-7H2,1-2H3
InChI Key:
AWLPPJIJSFSOPR-UHFFFAOYSA-N
SMILES:
O=C1CCC2(C(=C1C)CCCC2O)C
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.274g/mol
Monoisotopic Mass:
194.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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