AG002X7A

2905-82-0 | Benzoic acid, 2-hydroxy-5-methoxy-, methyl ester

AG002X7A

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CAS Number	2905-82-0
Catalog Number	AG002X7A(AGN-PC-0L4UBQ)
Chemical Name	Benzoic acid, 2-hydroxy-5-methoxy-, methyl ester
IUPAC Name	methyl 2-hydroxy-5-methoxybenzoate
InChI	InChI=1S/C9H10O4/c1-12-6-3-4-8(10)7(5-6)9(11)13-2/h3-5,10H,1-2H3
InChI Key	DFNBGZODMHWKKK-UHFFFAOYSA-N
MDL Number	MFCD00017185
Molecular Formula	C9H10O4
Molecular Weight	182.1733
SMILES	OC1=C(C(=O)OC)C=C(C=C1)OC
Synonyms	Methyl 2-hydroxy-5-methoxybenzoate, 2905-82-0, Methyl 5-methoxysalicylate, 5-Methoxysalicylic Acid Methyl Ester, DFNBGZODMHWKKK-UHFFFAOYSA-N, Benzoic acid, 2-hydroxy-5-methoxy-, methyl ester, 2-Hydroxy-5-methoxybenzoic Acid Methyl Ester, Benzoicacid, 2-hydroxy-5-methoxy-, methyl ester, ACMC-209h6m, AC1N3Y4E, AC1Q42RS, SCHEMBL643758, CHEMBL2252247, CTK4G2658, DTXSID00399022, Methyl 5-methoxysalicylate, 98%, Methyl2-Hydroxy-5-methoxybenzoate, ZINC403099, ALBB-030153, KS-00000BC8, methyl 2-hydroxy-5-methoxy-benzoate, ANW-26540, MFCD00017185, AKOS008909270, CS-W002115, DS-1152, MCULE-3043599422, TRA0091867, AJ-21933, BC683301, BR-46727, CJ-03797, SC-27274, SY003498, ZB013054, AB0016276, TR-012717, FT-0628681, M2127, ST24030966, 2-hydroxy-5-methoxy-benzoic acid methyl ester, 2-hydroxy-5-methoxybenzoic acid, methyl ester, M-2575, MFCD00017185 (97+%), I01-8328, J-017377, InChI=1/C9H10O4/c1-12-6-3-4-8(10)7(5-6)9(11)13-2/h3-5,10H,1-2H, C9H10O4, ACN-043734, CID4072341, O129,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.058g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	182.175g/mol
Monoisotopic Mass	182.058g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.8A^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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