AG003V1I

4105-92-4 | Triethyl benzene-1,3,5-tricarboxylate

AG003V1I

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CAS Number	4105-92-4
Catalog Number	AG003V1I(AGN-PC-0JO6CQ)
Chemical Name	Triethyl benzene-1,3,5-tricarboxylate
IUPAC Name	triethyl benzene-1,3,5-tricarboxylate
InChI	InChI=1S/C15H18O6/c1-4-19-13(16)10-7-11(14(17)20-5-2)9-12(8-10)15(18)21-6-3/h7-9H,4-6H2,1-3H3
InChI Key	KXGOWZRHSOJOLF-UHFFFAOYSA-N
MDL Number	MFCD00236389
Molecular Formula	C15H18O6
Molecular Weight	294.2998
NSC Number	17517
SMILES	O=C(C1=CC(C(OCC)=O)=CC(C(OCC)=O)=C1)OCC
Synonyms	triethyl benzene-1,3,5-tricarboxylate, 4105-92-4, Triethyl trimesate, 1,3,5-Benzenetricarboxylic acid, triethyl ester, Trimesic acid triethyl ester, Triethyl 1,3,5-benzenetricarboxylate, MFCD00236389, 1,3,5-Benzenetricarboxylic acid triethyl ester, J-400092, ethyl 3,5-bis(ethoxycarbonyl)benzoate, ACMC-20a6fr, BZTA02, AC1Q64FO, AC1L5F02, SCHEMBL1664013, CTK4I4217, DTXSID60280588, KXGOWZRHSOJOLF-UHFFFAOYSA-N, 1,3,5-Tri(ethoxycarbonyl)benzene, Triethyl 1,5-benzenetricarboxylate, ZINC396132, ALBB-026464, NSC17517, ZX-AN024975, 5624AB, ANW-59269, NSC-17517, SBB065068, AKOS003346740, MCULE-3385401448, VZ33983, AJ-21608, AS-10354, CC-35319, ZB012642, AX8016033, DB-027317, TC-148014, FT-0635132, R2736, ST45028200, Triethyl 1,3,5-benzenetricarboxylate, 97%, 1,5-Benzenetricarboxylic acid, triethyl ester, benzene-1,3,5-tricarboxylic acid triethyl ester, A825421, AE-641/00164033, C-18447, I01-6855, 1,3,5-Benzenetricarboxylicacid, 1,3,5-triethyl ester, InChI=1/C15H18O6/c1-4-19-13(16)10-7-11(14(17)20-5-2)9-12(8-10)15(18)21-6-3/h7-9H,4-6H2,1-3H, C15H18O6, AR-1L7307, CID226764, 53602-84-9,

Complexity	309
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	294.11g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	294.303g/mol
Monoisotopic Mass	294.11g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	78.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

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