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163128-61-8 | 2H-Inden-2-one, 1,4,5,6,7,7a-hexahydro-6,6-dimethyl-
CAS No: 163128-61-8 Catalog No: AG001TSX MDL No:
Product Description
Catalog Number:
AG001TSX
Chemical Name:
2H-Inden-2-one, 1,4,5,6,7,7a-hexahydro-6,6-dimethyl-
CAS Number:
163128-61-8
Molecular Formula:
C11H16O
Molecular Weight:
164.2441
IUPAC Name:
6,6-dimethyl-4,5,7,7a-tetrahydro-1H-inden-2-one
InChI:
InChI=1S/C11H16O/c1-11(2)4-3-8-5-10(12)6-9(8)7-11/h5,9H,3-4,6-7H2,1-2H3
InChI Key:
XMBVPYHNSJSSOJ-UHFFFAOYSA-N
SMILES:
O=C1C=C2C(C1)CC(CC2)(C)C
Properties
Complexity:
248
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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