AG00358U

99-24-1 | Methyl 3,4,5-trihydroxybenzoate

AG00358U

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CAS Number	99-24-1
Catalog Number	AG00358U(AGN-PC-0JK82Z)
Chemical Name	Methyl 3,4,5-trihydroxybenzoate
EC Number	202-741-7
IUPAC Name	methyl 3,4,5-trihydroxybenzoate
InChI	InChI=1S/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H3
InChI Key	FBSFWRHWHYMIOG-UHFFFAOYSA-N
MDL Number	MFCD00002194
Molecular Formula	C8H8O5
Molecular Weight	184.1461
NSC Number	363001
SMILES	OC=1C=C(C(=O)OC)C=C(C1O)O
UNII	623D3XG80C
Synonyms	gallic acid, methyl ester, methyl 3,4,5-trihydroxybenzoate, methyl gallate, METHYL GALLATE, Methyl 3,4,5-trihydroxybenzoate, 99-24-1, Gallic acid methyl ester, Methylgallate, Benzoic acid, 3,4,5-trihydroxy-, methyl ester, Gallic acid, methyl ester, methyl galloate, UNII-623D3XG80C, GALLINCIN, CCRIS 5567, 3,4,5-Trihydroxybenzoic acid methyl ester, AI3-00861, EINECS 202-741-7, MFCD00002194, NSC 363001, BRN 2113180, CHEMBL65675, 3,4,5-Trihydroxy-benzoic acid methyl ester, FBSFWRHWHYMIOG-UHFFFAOYSA-N, 623D3XG80C, NSC363001, AK-94175, W-100047, C7H6O5, Methyl 3,4,5-trihydroxybenzoate, 99%, Methyl gallate;, methyl-3,4,5-trihydroxybenzoate, Gallic acid methyl, AC1L1OQP, ACMC-209sc1, cid_7428, SCHEMBL39513, 4-10-00-01998 (Beilstein Handbook Reference), KSC486Q5P, MLS000574912, DTXSID3059189, CTK3I6857, KS-00000GMO, ZINC21789, HMS2210A23, HMS3346G16, ACT10740, BB_NC-02263, HY-N2010, ZX-AT016428, AN-156, ANW-40991, BBL010505, BDBM50187133, CM0133, SBB064246, STL146151, methyl 3,4,5-tris(oxidanyl)benzoate, AKOS000277450, EBD1614516, FCH1115330, MCULE-4626719858, NSC-363001, RP24448, RTR-030413, Methyl 3,4,5-trihydroxybenzoate, 98%, NCGC00247606-01, 4CN-1030, AC-11364, AJ-08435, AS-14808, CC-30751, CJ-00153, LS-71057, M666, SC-66486, SMR000156263, ZB000786, AB0007856, AX8139439, DB-057768, TR-030413, CS-0018330, FT-0626596, G0017, H6235, ST24030988, ST50825211, A845986, C-24507, CS-008/03903045, Methyl Gallate(Methyl 3,4,5-Trihydroxybenzoate ), I01-4452, InChI=1/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H, Gallicin, propyl gallate, methyl -d-galactoside, 2-Hydroxyisocaproic acid, C8H8O5, methyl-3,4,5-trihydroxybenzoat, CID7428, C8-H8-O5, ACN-047248, Methyl gallate, 99% - 250G 250g, C052082, 1824-94-8, 498-36-2,

Complexity	181
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	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H317-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number