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178491-44-6 | 1,5-Methano-1H-indene-2,4-dione, hexahydro-3a,5-dimethyl-
CAS No: 178491-44-6 Catalog No: AG00263A MDL No:
Product Description
Catalog Number:
AG00263A
Chemical Name:
1,5-Methano-1H-indene-2,4-dione, hexahydro-3a,5-dimethyl-
CAS Number:
178491-44-6
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
1,3-dimethyltricyclo[4.3.1.03,7]decane-2,5-dione
InChI:
InChI=1S/C12H16O2/c1-11-4-3-8-7(5-11)9(13)6-12(8,2)10(11)14/h7-8H,3-6H2,1-2H3
InChI Key:
CXLDNAVSKBTHDT-UHFFFAOYSA-N
SMILES:
O=C1CC2(C3C1CC(C2=O)(C)CC3)C
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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