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2459-10-1 | 1,2,4-Benzenetricarboxylic acid, 1,2,4-trimethyl ester
CAS No: 2459-10-1 Catalog No: AG002OOL MDL No:MFCD00043629
Product Description
Catalog Number:
AG002OOL
Chemical Name:
1,2,4-Benzenetricarboxylic acid, 1,2,4-trimethyl ester
CAS Number:
2459-10-1
Molecular Formula:
C12H12O6
Molecular Weight:
252.2201
MDL Number:
MFCD00043629
IUPAC Name:
trimethyl benzene-1,2,4-tricarboxylate
InChI:
InChI=1S/C12H12O6/c1-16-10(13)7-4-5-8(11(14)17-2)9(6-7)12(15)18-3/h4-6H,1-3H3
InChI Key:
MJHNUUNSCNRGJE-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(ccc1C(=O)OC)C(=O)OC
EC Number:
219-547-3
UNII:
16O7DT5N66
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.063g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.222g/mol
Monoisotopic Mass:
252.063g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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