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137678-98-9 | 4H-Inden-4-one, octahydro-6,6-dimethyl-2-methylene-, (3aR,7aS)-rel-
CAS No: 137678-98-9 Catalog No: AG0013PU MDL No:
Product Description
Catalog Number:
AG0013PU
Chemical Name:
4H-Inden-4-one, octahydro-6,6-dimethyl-2-methylene-, (3aR,7aS)-rel-
CAS Number:
137678-98-9
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
IUPAC Name:
(3aS,7aR)-6,6-dimethyl-2-methylidene-1,3,3a,5,7,7a-hexahydroinden-4-one
InChI:
InChI=1S/C12H18O/c1-8-4-9-6-12(2,3)7-11(13)10(9)5-8/h9-10H,1,4-7H2,2-3H3/t9-,10-/m0/s1
InChI Key:
RJSWRVCCSWCQFE-UWVGGRQHSA-N
SMILES:
C=C1C[C@H]2[C@@H](C1)C(=O)CC(C2)(C)C
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
178.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.275g/mol
Monoisotopic Mass:
178.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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