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116393-12-5 | 2,3-Naphthalenedione, 5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-
CAS No: 116393-12-5 Catalog No: AG000CDL MDL No:
Product Description
Catalog Number:
AG000CDL
Chemical Name:
2,3-Naphthalenedione, 5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-
CAS Number:
116393-12-5
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
IUPAC Name:
5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2,3-dione
InChI:
InChI=1S/C14H18O2/c1-13(2)5-6-14(3,4)10-8-12(16)11(15)7-9(10)13/h7-8H,5-6H2,1-4H3
InChI Key:
XWCYUORBCXADRM-UHFFFAOYSA-N
SMILES:
O=C1C=C2C(=CC1=O)C(C)(C)CCC2(C)C
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.296g/mol
Monoisotopic Mass:
218.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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