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88536-94-1 | 5H-Inden-5-one, octahydro-7a-methyl-1-methylene-, trans-
CAS No: 88536-94-1 Catalog No: AG0046NX MDL No:
Product Description
Catalog Number:
AG0046NX
Chemical Name:
5H-Inden-5-one, octahydro-7a-methyl-1-methylene-, trans-
CAS Number:
88536-94-1
Molecular Formula:
C11H16O
Molecular Weight:
164.2441
IUPAC Name:
7a-methyl-1-methylidene-2,3,3a,4,6,7-hexahydroinden-5-one
InChI:
InChI=1S/C11H16O/c1-8-3-4-9-7-10(12)5-6-11(8,9)2/h9H,1,3-7H2,2H3
InChI Key:
YTMIUXFSNLDGMC-UHFFFAOYSA-N
SMILES:
O=C1CC[C@@]2([C@@H](C1)CCC2=C)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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