AG003QQ2

118-41-2 | 3,4,5-Trimethoxybenzoic acid

AG003QQ2

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CAS Number	118-41-2
Catalog Number	AG003QQ2(AGN-PC-0JK8I7)
Chemical Name	3,4,5-Trimethoxybenzoic acid
EC Number	204-248-2
IUPAC Name	3,4,5-trimethoxybenzoic acid
InChI	InChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)
InChI Key	SJSOFNCYXJUNBT-UHFFFAOYSA-N
MDL Number	MFCD00002501
Molecular Formula	C10H12O5
Molecular Weight	212.1993
NSC Number	2525
SMILES	O=C(O)C1=CC(OC)=C(OC)C(OC)=C1
UNII	V5C9H0SC9F
Synonyms	3,4,5-trimethoxybenzoic acid, 3,4,5-trimethoxybenzoic acid, potassium salt, 3,4,5-trimethoxybenzoic acid, sodium salt, 3,4,5-TRIMETHOXYBENZOIC ACID, 118-41-2, Eudesmic acid, Gallic acid trimethyl ether, Trimethylgallic acid, Tri-O-methylgallic acid, Benzoic acid, 3,4,5-trimethoxy-, Veratric acid, 5-methoxy-, UNII-V5C9H0SC9F, 3,4,5-trimethoxy-benzoic acid, 5-methoxy-veratric acid, NSC 2525, MFCD00002501, V5C9H0SC9F, CHEBI:454991, NSC2525, SJSOFNCYXJUNBT-UHFFFAOYSA-N, 3,4,5-Trimethoxybenzoic acid, 99%, Hydrogen(T-4)-bis[3,5-bis(1,1-dimethylethyl)-2-hydroxybenzoato(2-)-O1, O2]aluminate(1-), 3,4,5-Trimethoxy Benzoic Acid, H5A, EINECS 204-248-2, PubChem11527, Spectrum_000082, SpecPlus_000919, AI3-21153, AC1L1QTQ, Spectrum2_000791, Spectrum3_000260, Spectrum4_001625, Spectrum5_000409, gallic-acid-trimethyl-ether, EC 204-248-2, 3,5-Trimethoxybenzoic acid, AC1Q5TS4, SCHEMBL6592, Oprea1_180796, BSPBio_001680, CBDivE_013176, CBDivE_014084, KBioGR_002029, KBioSS_000502, KSC179I3J, MLS002207176, DivK1c_007015, SPBio_000922, ACMC-2099x1, Benzoic acid,4,5-trimethoxy-, AC1Q47N5, CHEMBL377172, 3,4,5 trimethoxy benzoic acid, RARECHEM AL BO 0027, 3,4,5-?Trimethoxybenzoic acid, DTXSID3059472, BDBM92458, CTK0H9434, KBio1_001959, KBio2_000502, KBio2_003070, KBio2_005638, KBio3_001180, OTAVA-BB 1312859, ZINC347833, AKOS 214-77, BCP27297, HY-Y0084, NSC-2525, STR02399, ANW-17123, BBL009652, CCG-40169, LABOTEST-BB LT00454915, LABOTEST-BB LT03331418, SBB058083, STK246307, AKOS000113542, AC-2858, AM86360, AS00730, MCULE-4509330001, PS-7989, RL00705, RP26670, RTR-003158, TRA0053930, NCGC00179094-01, 4CN-2742, AJ-20064, AK-47760, AN-13524, SC-26803, SMR000112093, ST097622, AB1002356, ST2404571, CS-0008360, FT-0614161, A-7628, Gallic acid trimethyl ether; Trimethylgallic acid, I01-1324, J-521468, Q-200337, 3,4,5-Trimethoxybenzoic acid, ReagentPlus(R), 99%, F2191-0131, 3,4,5-Trimethoxybenzoic acid, Vetec(TM) reagent grade, 99%, benzoic acid, Asaronic acid, 3,3'-Thiodipropionic acid, C10H12O5, CID8357, 3,4,5 -Trimethoxy Benzoic Acid, AR-1E8926, 2,3,4-TRIMETHOXYBENZOIC ACID, ACN-057361, C10-H12-O5, T0705, A15148, 3,4,5-Trimethoxybenzoic acid, 99% - 100G 100g, 573-11-5, 59042-88-5,

Complexity	204
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.068g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	212.201g/mol
Monoisotopic Mass	212.068g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	65A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

Lot Number