1,3-Benzenedicarboxylic acid, 4,6-dimethyl-


Chemical Name: 1,3-Benzenedicarboxylic acid, 4,6-dimethyl-
CAS Number: 2790-09-2
Product Number: AG003AIC(AGN-PC-0JOUT2)
Synonyms:
MDL No:
Molecular Formula: C10H10O4
Molecular Weight: 194.1840

Identification/Properties


Computed Properties
Molecular Weight:
194.186g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
194.058g/mol
Monoisotopic Mass:
194.058g/mol
Topological Polar Surface Area:
74.6A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
225
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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