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88633-95-8 | 1,3-Cyclohexanedione, 5-(2,3-dihydro-4,6-dimethyl-1H-inden-5-yl)-
CAS No: 88633-95-8 Catalog No: AG004BH0 MDL No:
Product Description
Catalog Number:
AG004BH0
Chemical Name:
1,3-Cyclohexanedione, 5-(2,3-dihydro-4,6-dimethyl-1H-inden-5-yl)-
CAS Number:
88633-95-8
Molecular Formula:
C17H20O2
Molecular Weight:
256.3395
IUPAC Name:
5-(4,6-dimethyl-2,3-dihydro-1H-inden-5-yl)cyclohexane-1,3-dione
InChI:
InChI=1S/C17H20O2/c1-10-6-12-4-3-5-16(12)11(2)17(10)13-7-14(18)9-15(19)8-13/h6,13H,3-5,7-9H2,1-2H3
InChI Key:
PPIUCBOYLDQEHO-UHFFFAOYSA-N
SMILES:
O=C1CC(=O)CC(C1)c1c(C)cc2c(c1C)CCC2
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.146g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.345g/mol
Monoisotopic Mass:
256.146g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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