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100973-01-1 | 1,2-Benzenedicarboxylic acid, 3,4-dimethoxy-, 1,2-diethyl ester
CAS No: 100973-01-1 Catalog No: AG0003BZ MDL No:
Product Description
Catalog Number:
AG0003BZ
Chemical Name:
1,2-Benzenedicarboxylic acid, 3,4-dimethoxy-, 1,2-diethyl ester
CAS Number:
100973-01-1
Molecular Formula:
C14H18O6
Molecular Weight:
282.2891
IUPAC Name:
diethyl 3,4-dimethoxybenzene-1,2-dicarboxylate
InChI:
InChI=1S/C14H18O6/c1-5-19-13(15)9-7-8-10(17-3)12(18-4)11(9)14(16)20-6-2/h7-8H,5-6H2,1-4H3
InChI Key:
QBWSSAAQKRJRDZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1C(=O)OCC)OC)OC
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.11g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.292g/mol
Monoisotopic Mass:
282.11g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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