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145263-43-0 | 2,5-Cyclohexadiene-1,4-dione, 3,5-dimethoxy-2-(3-methyl-2-buten-1-yl)-
CAS No: 145263-43-0 Catalog No: AG001KQ5 MDL No:
Product Description
Catalog Number:
AG001KQ5
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 3,5-dimethoxy-2-(3-methyl-2-buten-1-yl)-
CAS Number:
145263-43-0
Molecular Formula:
C13H16O4
Molecular Weight:
236.2637
IUPAC Name:
3,5-dimethoxy-2-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C13H16O4/c1-8(2)5-6-9-10(14)7-11(16-3)12(15)13(9)17-4/h5,7H,6H2,1-4H3
InChI Key:
ZQYYUXCBAWULNC-UHFFFAOYSA-N
SMILES:
COC1=C(CC=C(C)C)C(=O)C=C(C1=O)OC
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.267g/mol
Monoisotopic Mass:
236.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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