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88633-94-7 | 1,3-Cyclohexanedione, 5-(2,3-dihydro-4,7-dimethyl-1H-inden-5-yl)-
CAS No: 88633-94-7 Catalog No: AG004BH1 MDL No:
Product Description
Catalog Number:
AG004BH1
Chemical Name:
1,3-Cyclohexanedione, 5-(2,3-dihydro-4,7-dimethyl-1H-inden-5-yl)-
CAS Number:
88633-94-7
Molecular Formula:
C17H20O2
Molecular Weight:
256.3395
IUPAC Name:
5-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)cyclohexane-1,3-dione
InChI:
InChI=1S/C17H20O2/c1-10-6-17(11(2)16-5-3-4-15(10)16)12-7-13(18)9-14(19)8-12/h6,12H,3-5,7-9H2,1-2H3
InChI Key:
YAXQJTQPAZFEDP-UHFFFAOYSA-N
SMILES:
O=C1CC(=O)CC(C1)c1cc(C)c2c(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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