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16849-69-7 | 1,4-Benzenedicarboxylic acid, 2,6-dimethoxy-
CAS No: 16849-69-7 Catalog No: AG001Y3I MDL No:
Product Description
Catalog Number:
AG001Y3I
Chemical Name:
1,4-Benzenedicarboxylic acid, 2,6-dimethoxy-
CAS Number:
16849-69-7
Molecular Formula:
C10H10O6
Molecular Weight:
226.1828
IUPAC Name:
2,6-dimethoxyterephthalic acid
InChI:
InChI=1S/C10H10O6/c1-15-6-3-5(9(11)12)4-7(16-2)8(6)10(13)14/h3-4H,1-2H3,(H,11,12)(H,13,14)
InChI Key:
XZZNMOQLQQVIFN-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1C(=O)O)OC)C(=O)O
EC Number:
240-872-1
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.184g/mol
Monoisotopic Mass:
226.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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