AG003RSE

6702-50-7 | Methyl 3-hydroxy-4-methoxybenzoate

AG003RSE

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CAS Number	6702-50-7
Catalog Number	AG003RSE(AGN-PC-0L4KMQ)
Chemical Name	Methyl 3-hydroxy-4-methoxybenzoate
IUPAC Name	methyl 3-hydroxy-4-methoxybenzoate
InChI	InChI=1S/C9H10O4/c1-12-8-4-3-6(5-7(8)10)9(11)13-2/h3-5,10H,1-2H3
InChI Key	QXOXUEFXRSIYSW-UHFFFAOYSA-N
MDL Number	MFCD01321262
Molecular Formula	C9H10O4
Molecular Weight	182.1733
SMILES	COC(C1=CC(=C(C=C1)OC)O)=O
Synonyms	Methyl 3-hydroxy-4-methoxybenzoate, 6702-50-7, Methyl isovanillate, Methyl 3-hydroxy-4-methoxybenzenecarboxylate, Methyl-3-hydroxy-4-methoxybenzoate, 3-hydroxy-4-methoxybenzoic acid methyl ester, Isovanillic Acid Methyl Ester, Methyl 3-hydroxy-4-methoxy-benzoate, QXOXUEFXRSIYSW-UHFFFAOYSA-N, Benzoic acid, 3-hydroxy-4-methoxy-, methyl ester, Methyl 3-Hydroxy-4-Methoxy Benzoate, Methyl 3-hydroxy-4-methoxybenzoate, 98%, isovamllic acid methyl ester, SCHEMBL57367, KSC496E5L, AC1N301S, AC1Q43H6, CHEMBL2252125, CTK3J6255, DTXSID70398845, Methyl3-hydroxy-4-methoxybenzoate, ZINC403183, ACN-S003462, ALBB-013961, BCP22986, KS-000006GC, methyl 3-hydroxyl-4-methoxybenzoate, methylhydroxymethoxybenzenecarboxylate, 2-Methoxy-5-(methoxycarbonyl)phenol, ANW-35284, MFCD01321262, SBB064951, 2-Hydroxy-4-(methoxycarbonyl)anisole, methyl 4-methoxy-3-oxidanyl-benzoate, AKOS005072200, AC-7251, AN-9200, CS-W002773, DA-0613, LS11837, MCULE-3455780959, QC-4387, RP10932, RTC-030630, TRA0062374, methyl 3-hydroxy-4-(methyloxy)benzoate, AJ-21971, AK-30110, BR-30110, CJ-03817, SC-27697, SY005365, ZB013092, AB0026165, DB-007669, ST2413357, TC-030630, 3-Hydroxy-4-Methoxybenzoic AcidMethyl Ester, 4CH-007472, AM20061016, FT-0080235, FT-0602740, M2205, ST51038443, W7767, 3-hydroxy-4-methoxy benzoic acid methyl ester, 3-Hydroxy-4-methoxybenzoic acid, methyl ester, MFCD01321262 (98%), 3-Hydroxy-4-methoxy benzoic acid, methyl ester, 3-Hydroxy-4-methoxy-benzoic Acid Methyl Ester, C-5893, 702M507, A835611, I01-6484, J-522173, C9H10O4, CID4056967, 1004294-83-0,

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	1.8

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

Lot Number