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143721-33-9 | 1,4-Naphthalenedione, 2,3-dihydro-5,8-dimethyl-
CAS No: 143721-33-9 Catalog No: AG001I92 MDL No:
Product Description
Catalog Number:
AG001I92
Chemical Name:
1,4-Naphthalenedione, 2,3-dihydro-5,8-dimethyl-
CAS Number:
143721-33-9
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
IUPAC Name:
5,8-dimethyl-2,3-dihydronaphthalene-1,4-dione
InChI:
InChI=1S/C12H12O2/c1-7-3-4-8(2)12-10(14)6-5-9(13)11(7)12/h3-4H,5-6H2,1-2H3
InChI Key:
MXCLMEWZANZASK-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)c2c1c(C)ccc2C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.226g/mol
Monoisotopic Mass:
188.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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