AG002OOL

2459-10-1 | 1,2,4-Benzenetricarboxylic acid, 1,2,4-trimethyl ester

AG002OOL

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CAS Number	2459-10-1
Catalog Number	AG002OOL(AGN-PC-0JKDAR)
Chemical Name	1,2,4-Benzenetricarboxylic acid, 1,2,4-trimethyl ester
EC Number	219-547-3
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
MDL Number	MFCD00043629
Molecular Formula	C12H12O6
Molecular Weight	252.2201
SMILES	O=C(C1=CC=C(C(OC)=O)C=C1C(OC)=O)OC
UNII	16O7DT5N66
Synonyms	Trimethyl trimellitate, 2459-10-1, Trimethyl benzene-1,2,4-tricarboxylate, TRIMETHYL 1,2,4-BENZENETRICARBOXYLATE, Methyl trimellitate, Trimellitic acid trimethyl ester, 1,2,4-Benzenetricarboxylic acid, trimethyl ester, UNII-16O7DT5N66, TRIMETHYL1,2,4-BENZENETRICARBOXYLATE, MJHNUUNSCNRGJE-UHFFFAOYSA-N, 16O7DT5N66, FR-0667, 1,2,4-Benzenetricarboxylic acid, 1,2,4-trimethyl ester, W-109787, ACMC-1CKKM, AC1L29FW, DSSTox_CID_24620, DSSTox_RID_80355, DSSTox_GSID_44620, SCHEMBL126043, CHEMBL3183850, DTXSID8044620, CTK8C5364, HSDB 5880, ZINC407068, 1,2,4-Tris(methoxycarbonyl)benzene, EINECS 219-547-3, Tox21_302449, SBB007965, AKOS025116660, methyl 2,4-bis(methoxycarbonyl)benzoate, methyl 2,5-bis(methoxycarbonyl)benzoate, NCGC00256621-01, AN-20830, CAS-2459-10-1, AI3-08219, TR-011332, TRImethyl-1,2,4-BENZENETRICARBOXYLATE, FT-0676079, ST50406489, T1229, Trimethyl 1,2,4-benzenetricarboxylate, 98%, I14-107514, InChI=1/C12H12O6/c1-16-10(13)7-4-5-8(11(14)17-2)9(6-7)12(15)18-3/h4-6H,1-3H, Methyl isonicotinate, 98%, CID17159, MFCD00043629, 1,2,4-Benzenetricarboxylic Acid Trimethyl Ester,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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