AG003RLN

3147-39-5 | Methyl 2,4,6-Trihydroxybenzoate

AG003RLN

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CAS Number	3147-39-5
Catalog Number	AG003RLN(AGN-PC-0JLQ52)
Chemical Name	Methyl 2,4,6-Trihydroxybenzoate
EC Number	221-566-7
IUPAC Name	methyl 2,4,6-trihydroxybenzoate
InChI	InChI=1S/C8H8O5/c1-13-8(12)7-5(10)2-4(9)3-6(7)11/h2-3,9-11H,1H3
InChI Key	AQDIJIAUYXOCGX-UHFFFAOYSA-N
MDL Number	MFCD00013969
Molecular Formula	C8H8O5
Molecular Weight	184.1461
SMILES	C(=O)(OC)c1c(O)cc(cc1O)O
Synonyms	Methyl 2,4,6-trihydroxybenzoate, 3147-39-5, 2,4,6-Trihydroxybenzoic acid methyl ester, Benzoic acid, 2,4,6-trihydroxy-, methyl ester, AQDIJIAUYXOCGX-UHFFFAOYSA-N, MFCD00013969, EINECS 221-566-7, ACMC-20akj4, AC1L2R9G, AC1Q42RI, SCHEMBL725269, AC1Q5Z34, DTXSID3062867, CTK4G7198, ZINC394662, FCH918448, SBB058528, AKOS006229812, ACM3147395, MCULE-4542772337, AJ-21408, ST095212, ZB012409, AX8138075, DB-048045, TC-166279, FT-0634696, Benzoic acid,2,4,6-trihydroxy-, methyl ester, C-51639, I14-55816, InChI=1/C8H8O5/c1-13-8(12)7-5(10)2-4(9)3-6(7)11/h2-3,9-11H,1H, METHYL GALLATE, C8H8O5, Methyl2,4,6-trihydroxybenzoate, C8-H8-O5, CID76600, AR-1J4541, 32812-42-3,

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	1.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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