AG003FNG

570-02-5 | 2,4,6-Trimethoxybenzoic Acid

AG003FNG

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CAS Number	570-02-5
Catalog Number	AG003FNG(AGN-PC-0JL8GO)
Chemical Name	2,4,6-Trimethoxybenzoic Acid
EC Number	209-325-4
IUPAC Name	2,4,6-trimethoxybenzoic acid
InChI	InChI=1S/C10H12O5/c1-13-6-4-7(14-2)9(10(11)12)8(5-6)15-3/h4-5H,1-3H3,(H,11,12)
InChI Key	JATAKEDDMQNPOQ-UHFFFAOYSA-N
MDL Number	MFCD00016497
Molecular Formula	C10H12O5
Molecular Weight	212.1993
SMILES	O=C(O)C1=C(OC)C=C(OC)C=C1OC
Synonyms	2,4,6-Trimethoxybenzoic acid, 570-02-5, Benzoic acid, 2,4,6-trimethoxy-, JATAKEDDMQNPOQ-UHFFFAOYSA-N, MFCD00016497, AK-50744, W-105493, EINECS 209-325-4, 2,4,6-Trimethoxy-benzoic acid, PubChem13726, ACMC-1AWJZ, AC1L29QM, AC1Q48XC, AC1Q5TJ9, KSC495I9P, SCHEMBL466144, DTXSID1060348, CTK3J5497, KS-00000FWO, EBD2666, ZINC4787060, ANW-32617, CT-367, SBB058346, AKOS009148700, BBV-050060, CS-W021498, MCULE-7371924875, 2,4,6-TRIMETHOXY BENZOIC ACID, AJ-52282, AN-45987, AS-32992, BC222026, CC-07181, OR400614, Q957, SC-54379, AX8012075, DB-019838, RT-002555, FT-0609887, ST24027292, ST50407900, M-5362, 570T025, C-11078, I01-0196, PHLOROGLUCINOL CARBOXYLIC ACID TRIMETHYL ETHER, C10H12O5, CID68441, AR-1D3103, C10-H12-O5, T2408, 58-68-4,

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	0.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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