AG00BY7Q

3934-86-9 | 3,4-Dihydroxy-5-methoxybenzoic acid methyl ester

AG00BY7Q

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CAS Number	3934-86-9
Catalog Number	AG00BY7Q(AGN-PC-0JM3Q5)
Chemical Name	3,4-Dihydroxy-5-methoxybenzoic acid methyl ester
IUPAC Name	methyl 3,4-dihydroxy-5-methoxybenzoate
InChI	InChI=1S/C9H10O5/c1-13-7-4-5(9(12)14-2)3-6(10)8(7)11/h3-4,10-11H,1-2H3
InChI Key	LVVUKXKEXOTUPV-UHFFFAOYSA-N
MDL Number	MFCD00183269
Molecular Formula	C9H10O5
Molecular Weight	198.1727
NSC Number	251664
SMILES	O=C(OC)C1=CC(OC)=C(O)C(O)=C1
UNII	8FIX3OQ9G8
Synonyms	M3OMG, methyl-3-O-methylgallate, methyl-O-methylgallate, 3934-86-9, methyl 3,4-dihydroxy-5-methoxybenzoate, 3,4-Dihydroxy-5-methoxybenzoic acid methyl ester, M3OMG, Methyl 3-O-methyl gallate, Methyl 3-O-methylgallate, UNII-8FIX3OQ9G8, Methyl 3-methoxy-4,5-dihydroxybenzoate, 8FIX3OQ9G8, Benzoic acid, 3,4-dihydroxy-5-methoxy-, methyl ester, 3,4-Dihydroxy-5-methoxy-benzoic acid methyl ester, W-200339, Methyl-O-methylgallate, NSC 251664, PubChem22944, AC1Q5Z5V, AC1L410Z, SCHEMBL1465618, CHEMBL1933687, CTK4I1274, KS-00001AWA, DTXSID70192562, LVVUKXKEXOTUPV-UHFFFAOYSA-N, HY-N6669, ZINC1556402, BBL103587, FCH920611, MFCD00183269, NSC251664, STL557397, AKOS005254586, NSC-251664, methyl 5-methoxy-3,4-dihydroxybenzoate, methyl 3,4-dihydroxy-5-methoxy-benzoate, AC-22905, AJ-26975, AK144185, AS-37642, CJ-24455, DB-069799, CS-0036473, FT-0690169, ST24047749, A20418, A24318, X-4043, I01-8590, Benzoic acid,3,4-dihydroxy-5-methoxy-, methyl ester, Methyl 2-formylbenzoate, CID99622, AR-1H9167, C9-H10-O5, 3,4-DIHYDROXY-5-METHOXYBENZOICACIDMETHYLESTER, 4122-56-9,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.053g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	198.174g/mol
Monoisotopic Mass	198.053g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	76A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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