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100613-73-8 | Propanedioic acid, 2-(3,4-dimethoxyphenyl)-, 1,3-dimethyl ester
CAS No: 100613-73-8 Catalog No: AG0002I1 MDL No:
Product Description
Catalog Number:
AG0002I1
Chemical Name:
Propanedioic acid, 2-(3,4-dimethoxyphenyl)-, 1,3-dimethyl ester
CAS Number:
100613-73-8
Molecular Formula:
C13H16O6
Molecular Weight:
268.2625
IUPAC Name:
dimethyl 2-(3,4-dimethoxyphenyl)propanedioate
InChI:
InChI=1S/C13H16O6/c1-16-9-6-5-8(7-10(9)17-2)11(12(14)18-3)13(15)19-4/h5-7,11H,1-4H3
InChI Key:
XAVJSXAJKRURQW-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccc(c(c1)OC)OC)C(=O)OC
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.265g/mol
Monoisotopic Mass:
268.095g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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