AG003QFU

22163-52-6 | Ethyl methyl terephthalate

AG003QFU

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CAS Number	22163-52-6
Catalog Number	AG003QFU(AGN-PC-0JTI4V)
Chemical Name	Ethyl methyl terephthalate
IUPAC Name	4-O-ethyl 1-O-methyl benzene-1,4-dicarboxylate
InChI	InChI=1S/C11H12O4/c1-3-15-11(13)9-6-4-8(5-7-9)10(12)14-2/h4-7H,3H2,1-2H3
InChI Key	SGPZSOQUJLFTMQ-UHFFFAOYSA-N
MDL Number	MFCD00037103
Molecular Formula	C11H12O4
Molecular Weight	208.2106
SMILES	C(C1=CC=C(C(=O)OC)C=C1)(=O)OCC
Synonyms	ethyl methyl terephthalate, 22163-52-6, 1,4-Benzenedicarboxylic acid, ethyl methyl ester, 1-ETHYL 4-METHYL BENZENE-1,4-DICARBOXYLATE, Terephthalic acid, ethyl methyl ester, Methyl ethyl terephthalate, AC1LC84S, 1,4-Benzenedicarboxylic acid 1-ethyl 4-methyl ester, SCHEMBL4444431, CTK0J6634, DTXSID60344336, SGPZSOQUJLFTMQ-UHFFFAOYSA-N, 1-Ethyl 4-methyl terephthalate #, KS-000001WR, MFCD06204313, AKOS028108694, p-methoxycarbonylbenzoic acid ethyl ester, CS-0059909, 4-O-ethyl 1-O-methyl benzene-1,4-dicarboxylate, CID596033, 1,4-Benzenedicarboxylicacid1-ethyl4-methylester,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.074g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	208.213g/mol
Monoisotopic Mass	208.074g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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