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23585-23-1 | 2,5-Cyclohexadiene-1,4-dione, 2,5-diethyl-3,6-dimethyl-
CAS No: 23585-23-1 Catalog No: AG002NRK MDL No:
Product Description
Catalog Number:
AG002NRK
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 2,5-diethyl-3,6-dimethyl-
CAS Number:
23585-23-1
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
2,5-diethyl-3,6-dimethylcyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C12H16O2/c1-5-9-7(3)12(14)10(6-2)8(4)11(9)13/h5-6H2,1-4H3
InChI Key:
ILYYGGNHWSFIDU-UHFFFAOYSA-N
SMILES:
CCC1=C(C)C(=O)C(=C(C1=O)C)CC
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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