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87568-09-0 | 1,2-Naphthalenedione, 4a,5,8,8a-tetrahydro-3,4a,8-trimethyl-
CAS No: 87568-09-0 Catalog No: AG004J93 MDL No:
Product Description
Catalog Number:
AG004J93
Chemical Name:
1,2-Naphthalenedione, 4a,5,8,8a-tetrahydro-3,4a,8-trimethyl-
CAS Number:
87568-09-0
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
IUPAC Name:
3,4a,8-trimethyl-8,8a-dihydro-5H-naphthalene-1,2-dione
InChI:
InChI=1S/C13H16O2/c1-8-5-4-6-13(3)7-9(2)11(14)12(15)10(8)13/h4-5,7-8,10H,6H2,1-3H3
InChI Key:
KRCGREVIQZFMOC-UHFFFAOYSA-N
SMILES:
CC1C=CCC2(C1C(=O)C(=O)C(=C2)C)C
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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