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16849-68-6 | 1,4-Benzenedicarboxylic acid, 2,6-dimethoxy-, 1,4-dimethyl ester
CAS No: 16849-68-6 Catalog No: AG001Y3J MDL No:
Product Description
Catalog Number:
AG001Y3J
Chemical Name:
1,4-Benzenedicarboxylic acid, 2,6-dimethoxy-, 1,4-dimethyl ester
CAS Number:
16849-68-6
Molecular Formula:
C12H14O6
Molecular Weight:
254.2360
IUPAC Name:
dimethyl 2,6-dimethoxybenzene-1,4-dicarboxylate
InChI:
InChI=1S/C12H14O6/c1-15-8-5-7(11(13)17-3)6-9(16-2)10(8)12(14)18-4/h5-6H,1-4H3
InChI Key:
NXYMWIDWVDUCSH-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(OC)c(c(c1)OC)C(=O)OC
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.238g/mol
Monoisotopic Mass:
254.079g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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