AG003Q6C

6178-44-5 | Ethyl 3,4,5-trimethoxybenzoate

AG003Q6C

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CAS Number	6178-44-5
Catalog Number	AG003Q6C(AGN-PC-0JO99I)
Chemical Name	Ethyl 3,4,5-trimethoxybenzoate
IUPAC Name	ethyl 3,4,5-trimethoxybenzoate
InChI	InChI=1S/C12H16O5/c1-5-17-12(13)8-6-9(14-2)11(16-4)10(7-8)15-3/h6-7H,5H2,1-4H3
InChI Key	UEOFNBCUGJADBM-UHFFFAOYSA-N
MDL Number	MFCD00017525
Molecular Formula	C12H16O5
Molecular Weight	240.2524
NSC Number	26825
SMILES	O=C(OCC)C1=CC(OC)=C(OC)C(OC)=C1
Synonyms	Ethyl 3,4,5-Trimethoxybenzoate, 6178-44-5, 3,4,5-Trimethoxybenzoic Acid Ethyl Ester, Ethyl 3,4,5-trimethoxy benzoate, MFCD00017525, NSC26825, ethyltrimethoxy benzoate, ACMC-1B7MP, AC1L5L3G, AC1Q64GZ, CHEMBL501163, SCHEMBL4410910, CTK5B3700, DTXSID50282612, Ethyl 3,4,5-trimethoxybenzoate;, ACT14339, ZINC1634150, 9415AF, ANW-33941, NSC-26825, AKOS003855607, MCULE-2673083447, VZ25437, TRA-0184222, 4CN-0990, AC-11226, AJ-28491, AN-25275, BC201901, CJ-26320, DB-053986, TC-122686, FT-0636014, ST24046895, ST50406898, Benzoic acid,3,4,5-trimethoxy-, ethyl ester, Benzoic acid, 3,4,5-trimethoxy-, ethyl ester, I01-20112, Z53836337, C12H16O5, AR-1I8700, CID231162, T2015, 3,4,5-Trimethoxybenzoic acid ethyl ester, 98% - 25G 25g, 66771-92-4,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	240.1g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	240.255g/mol
Monoisotopic Mass	240.1g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	54A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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