AG0037WD

3934-84-7 | 3,4-Dihydroxy-5-methoxybenzoic acid

AG0037WD

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CAS Number	3934-84-7
Catalog Number	AG0037WD(AGN-PC-0JKEX2)
Chemical Name	3,4-Dihydroxy-5-methoxybenzoic acid
EC Number	223-512-8
IUPAC Name	3,4-dihydroxy-5-methoxybenzoic acid
InChI	InChI=1S/C8H8O5/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,9-10H,1H3,(H,11,12)
InChI Key	KWCCUYSXAYTNKA-UHFFFAOYSA-N
MDL Number	MFCD00016518
Molecular Formula	C8H8O5
Molecular Weight	184.1461
SMILES	OC=1C=C(C(=O)O)C=C(C1O)OC
UNII	8JA4OZ7166
Synonyms	3-O-methylgallate, 3-O-methylgallic acid, 3,4-dihydroxy-5-methoxybenzoic acid, 3934-84-7, 3-O-Methylgallic acid, 3,4-Dihydroxy-5-methoxy-benzoic acid, 4,5-Dihydroxy-m-anisic acid, gallic acid 3-methyl ether, UNII-8JA4OZ7166, 5-hydroxyvanillic acid, 8JA4OZ7166, GEO-01103, AK115146, 3-Methoxy-4,5-Bis(Oxidanyl)benzoic Acid, 3-methylgallic acid, EINECS 223-512-8, 3,4-Dihydroxy-5-methoxy-benzoicacid, Benzoic acid, 3,4-dihydroxy-5-methoxy-, methylgallic acid,3-o-, AC1L2EYH, SCHEMBL975675, CHEBI:28647, CTK4I1273, DTXSID10192561, KWCCUYSXAYTNKA-UHFFFAOYSA-N, ZINC895819, KS-00000KK8, 3-methoxy-4,5-dihydroxybenzoic acid, 4,5-dihydroxy-3-methoxybenzoic acid, 5143AB, FCH920077, MFCD00016518, AKOS005256836, AC-6626, AN-9798, DS-4064, Benzoic acid,3,4-dihydroxy-5-methoxy-, AJ-24213, SC-49968, AB0076212, AX8033516, DB-069798, 4CH-024628, A6590, CS-0018329, FT-0698372, ST24041157, 3,4-DIHYDROXY-5-METHOXY BENZOIC ACID, C05616, X-3649, 3,4-Dihydroxy-5-methoxybenzoic acid, AldrichCPR, C-57420, 7WR, 3-O-Methylgallate, 3-Methoxygallic acid, C8H8O5, 3,4-Dihydroxy-5-methoxybenzoicacid, C8-H8-O5, CID19829, C025525,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.037g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	184.147g/mol
Monoisotopic Mass	184.037g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	87A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number