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88633-99-2 | 1,3-Cyclohexanedione, 5-(2,3-dihydro-2,2-dimethyl-1H-inden-5-yl)-
CAS No: 88633-99-2 Catalog No: AG004BGZ MDL No:
Product Description
Catalog Number:
AG004BGZ
Chemical Name:
1,3-Cyclohexanedione, 5-(2,3-dihydro-2,2-dimethyl-1H-inden-5-yl)-
CAS Number:
88633-99-2
Molecular Formula:
C17H20O2
Molecular Weight:
256.3395
IUPAC Name:
5-(2,2-dimethyl-1,3-dihydroinden-5-yl)cyclohexane-1,3-dione
InChI:
InChI=1S/C17H20O2/c1-17(2)9-12-4-3-11(5-14(12)10-17)13-6-15(18)8-16(19)7-13/h3-5,13H,6-10H2,1-2H3
InChI Key:
ZGWXTWLXNVGRPH-UHFFFAOYSA-N
SMILES:
O=C1CC(=O)CC(C1)c1ccc2c(c1)CC(C2)(C)C
Properties
Complexity:
380
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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