AG003RST

5368-81-0 | Methyl 3-methoxybenzoate

AG003RST

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CAS Number	5368-81-0
Catalog Number	AG003RST(AGN-PC-0JLRXS)
Chemical Name	Methyl 3-methoxybenzoate
EC Number	226-359-5
IUPAC Name	methyl 3-methoxybenzoate
InChI	InChI=1S/C9H10O3/c1-11-8-5-3-4-7(6-8)9(10)12-2/h3-6H,1-2H3
InChI Key	DUKYPQBGYRJVAN-UHFFFAOYSA-N
MDL Number	MFCD00017193
Molecular Formula	C9H10O3
Molecular Weight	166.1739
NSC Number	100922
SMILES	O=C(OC)C1=CC=CC(OC)=C1
Synonyms	Methyl 3-methoxybenzoate, 5368-81-0, Methyl m-anisate, 3-Methoxybenzoic acid methyl ester, Methyl m-methoxybenzoate, m-Anisic acid, methyl ester, Benzoic acid, 3-methoxy-, methyl ester, 3-Methoxybenoic acid methyl ester, m-Methoxybenzoic acid methyl ester, MFCD00017193, DUKYPQBGYRJVAN-UHFFFAOYSA-N, EINECS 226-359-5, NSC 100922, Mehtyl 3-methoxybenzoate, ACMC-1ASQ5, AC1L2X5Y, m-Anisic Acid Methyl Ester, NCIOpen2_001837, SCHEMBL384913, CHEMBL2252126, Methyl 3-methoxybenzoate, 97%, 3-CH3O-C6H4-COOCH3, CTK4J8616, DTXSID40201918, m-Methoxybenzoic acid, methyl ester, ZINC1662514, ANW-31832, BBL027833, m-Anisic acid, methyl ester (8CI), NSC100922, SBB063351, STK095096, Methyl ester of m-Methoxybenzoic acid, AKOS003596613, Benzoic acid,3-methoxy-, methyl ester, CM-1478, CS-W001586, MCULE-8285343829, NSC-100922, AJ-28937, AK110445, AS-11245, CJ-06018, CJ-26857, ST092329, TR-018996, FT-0628570, ST24031048, Benzoic acid, 3-methoxy-, methyl ester (9CI), M-2905, 368M810, I01-1384, InChI=1/C9H10O3/c1-11-8-5-3-4-7(6-8)9(10)12-2/h3-6H,1-2H, Benzoic acid, methyl ester, C9H10O3, CID79332, C9-H10-O3, A1380, Methyl 3-methoxybenzoate, 98% - 25G 25g,

Complexity	156
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.063g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	166.176g/mol
Monoisotopic Mass	166.063g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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