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142247-01-6 | 2,5-Cyclohexadiene-1,4-dione, 2-ethoxy-5-hexyl-3-methoxy-6-methyl-
CAS No: 142247-01-6 Catalog No: AG001I1R MDL No:
Product Description
Catalog Number:
AG001I1R
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 2-ethoxy-5-hexyl-3-methoxy-6-methyl-
CAS Number:
142247-01-6
Molecular Formula:
C16H24O4
Molecular Weight:
280.3594
IUPAC Name:
2-ethoxy-5-hexyl-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C16H24O4/c1-5-7-8-9-10-12-11(3)13(17)16(20-6-2)15(19-4)14(12)18/h5-10H2,1-4H3
InChI Key:
BZGMGKYDDKPSLW-UHFFFAOYSA-N
SMILES:
CCCCCCC1=C(C)C(=O)C(=C(C1=O)OC)OCC
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.167g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.364g/mol
Monoisotopic Mass:
280.167g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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