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88656-12-6 | 4H-Inden-4-one, octahydro-3a-methyl-1-methylene-, cis-
CAS No: 88656-12-6 Catalog No: AG0047VL MDL No:
Product Description
Catalog Number:
AG0047VL
Chemical Name:
4H-Inden-4-one, octahydro-3a-methyl-1-methylene-, cis-
CAS Number:
88656-12-6
Molecular Formula:
C11H16O
Molecular Weight:
164.2441
IUPAC Name:
3a-methyl-1-methylidene-2,3,5,6,7,7a-hexahydroinden-4-one
InChI:
InChI=1S/C11H16O/c1-8-6-7-11(2)9(8)4-3-5-10(11)12/h9H,1,3-7H2,2H3
InChI Key:
QQBKXKINRALYFF-UHFFFAOYSA-N
SMILES:
C=C1CC[C@]2([C@@H]1CCCC2=O)C
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.12g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.248g/mol
Monoisotopic Mass:
164.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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