AG003O0W

6237-59-8 | Benzenehexacarboxylic acid hexamethyl ester

AG003O0W

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CAS Number	6237-59-8
Catalog Number	AG003O0W(AGN-PC-0JMQAK)
Chemical Name	Benzenehexacarboxylic acid hexamethyl ester
IUPAC Name	hexamethyl benzene-1,2,3,4,5,6-hexacarboxylate
InChI	InChI=1S/C18H18O12/c1-25-13(19)7-8(14(20)26-2)10(16(22)28-4)12(18(24)30-6)11(17(23)29-5)9(7)15(21)27-3/h1-6H3
InChI Key	BQLICNRRYLYEDI-UHFFFAOYSA-N
MDL Number	MFCD00059200
Molecular Formula	C18H18O12
Molecular Weight	426.3283
NSC Number	70056
SMILES	COC(=O)C1=C(C(=O)OC)C(C(=O)OC)=C(C(=O)OC)C(C(=O)OC)=C1C(=O)OC
Synonyms	Hexamethyl benzenehexacarboxylate, 6237-59-8, Benzenehexacarboxylic Acid Hexamethyl Ester, Hexamethyl mellitate, Benzenehexacarboxylic acid, hexamethyl ester, hexamethyl benzene-1,2,3,4,5,6-hexacarboxylate, AC1L3DDY, ACMC-1BA1K, Mellitic Acid Hexamethyl Ester, Mellitic acid, hexamethyl ester, SCHEMBL10260335, CTK8B2038, DTXSID80211430, BQLICNRRYLYEDI-UHFFFAOYSA-N, NSC70056, ZINC4802496, Benzenehexacarboxylic acid hexamethyl, ANW-34185, MFCD00059200, NSC-70056, TC-122930, FT-0082251, FT-0622643, C-46453, Hexamethyl 1,2,3,4,5,6-benzenehexacarboxylate #, I14-62765, CID138697, B1107, BENZENEHEXACARBOXYLICACIDHEXAMETHYLESTER,

Complexity	547
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	426.08g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	426.33g/mol
Monoisotopic Mass	426.08g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	158A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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