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133130-80-0 | 3,4-Phenanthrenedione, 5,6,7,8-tetrahydro-8,8-dimethyl-
CAS No: 133130-80-0 Catalog No: AG0014B4 MDL No:
Product Description
Catalog Number:
AG0014B4
Chemical Name:
3,4-Phenanthrenedione, 5,6,7,8-tetrahydro-8,8-dimethyl-
CAS Number:
133130-80-0
Molecular Formula:
C16H16O2
Molecular Weight:
240.2970
IUPAC Name:
8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione
InChI:
InChI=1S/C16H16O2/c1-16(2)9-3-4-11-12(16)7-5-10-6-8-13(17)15(18)14(10)11/h5-8H,3-4,9H2,1-2H3
InChI Key:
NUJIKIJQCXNJFW-UHFFFAOYSA-N
SMILES:
O=C1C=Cc2c(C1=O)c1CCCC(c1cc2)(C)C
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.115g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.302g/mol
Monoisotopic Mass:
240.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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