AG003RS5

108593-47-1 | Methyl 3-ethoxybenzoate

AG003RS5

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CAS Number	108593-47-1
Catalog Number	AG003RS5(AGN-PC-0KRHBP)
Chemical Name	Methyl 3-ethoxybenzoate
IUPAC Name	methyl 3-ethoxybenzoate
InChI	InChI=1S/C10H12O3/c1-3-13-9-6-4-5-8(7-9)10(11)12-2/h4-7H,3H2,1-2H3
InChI Key	IFLQNIVRGRISMD-UHFFFAOYSA-N
MDL Number	MFCD00017263
Molecular Formula	C10H12O3
Molecular Weight	180.2005
SMILES	O=C(OC)C1=CC=CC(OCC)=C1
Synonyms	methyl 3-ethoxybenzoate, 108593-47-1, Benzoic acid, 3-ethoxy-, methyl ester, AC1MMWDU, Methyl-3-Ethoxy benzoate, ACMC-1C8PS, SCHEMBL644216, CTK0G2677, DTXSID60390853, 3-Ethoxybenzoic acid methyl ester, IFLQNIVRGRISMD-UHFFFAOYSA-N, 3-ethoxy-benzoic-acid-methyl-ester, ACT08423, ZINC2146963, ANW-15958, MFCD00017263, STK063351, AKOS000348747, MCULE-6487494991, RTR-001972, CJ-07787, CJ-33038, m-ETHOXYBENZOIC ACID(METHYL ESTER), DB-040834, TR-001972, FT-0628554, ST50407907, A-4899, I01-11356, ZINC02146963, CID3267781, 20349-89-7,

Complexity	168
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.079g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	180.203g/mol
Monoisotopic Mass	180.079g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	35.5A^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

Lot Number