AG003FEA

610-02-6 | 2,3,4-Trihydroxybenzoic acid

AG003FEA

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CAS Number	610-02-6
Catalog Number	AG003FEA(AGN-PC-0JKA9Z)
Chemical Name	2,3,4-Trihydroxybenzoic acid
EC Number	210-205-9
IUPAC Name	2,3,4-trihydroxybenzoic acid
InChI	InChI=1S/C7H6O5/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,8-10H,(H,11,12)
InChI Key	BRRSNXCXLSVPFC-UHFFFAOYSA-N
MDL Number	MFCD00002447
Molecular Formula	C7H6O5
Molecular Weight	170.1195
NSC Number	27436
SMILES	O=C(O)C1=CC=C(O)C(O)=C1O
UNII	AD1ID2JF5O
Synonyms	2,3,4-TRIHYDROXYBENZOIC ACID, 610-02-6, 4-Pyrogallolcarboxylic acid, Pyrogallolcarboxylic acid, 2,3,4-Trihydroxybenzoate, Pyrogallol-4-carboxylic acid, UNII-AD1ID2JF5O, Benzoic acid, trihydroxy-, Benzoic acid, 2,3,4-trihydroxy-, 2,3,4-Trihydroxybenzene carboxylic acid, EINECS 210-205-9, NSC 27436, AD1ID2JF5O, BRN 2210807, CHEMBL220779, CHEBI:88714, MFCD00002447, 2,3,4-Trihydroxybenzoic acid, 97%, AK-94172, W-105210, pyrogallolcarboxylate, trihydroxybenzoic acid, 2,4-Trihydroxybenzoate, 2,4-Trihydroxybenzoic acid, AC1L1YC0, Oprea1_870375, SCHEMBL77708, 4-10-00-01971 (Beilstein Handbook Reference), KSC421O5N, Benzoic acid,3,4-trihydroxy-, CTK3C1756, KS-00000LKK, DTXSID20209851, BRRSNXCXLSVPFC-UHFFFAOYSA-N, Pyrogallic acid-4-carboxylic acid, ZINC391975, NSC27436, ZX-RL001079, ANW-33648, BDBM50205386, CT-157, CT0084, NSC-27436, SBB063725, 2,4-Trihydroxybenzene carboxylic acid, AKOS004114674, 2,3,4-Trihydroxybenzenecarboxylic acid, AS-8189, CS-W017709, FCH1117268, MCULE-9768249873, RTR-021018, TRA0088999, VZ22116, AC-11254, AJ-21194, AN-46435, CC-06659, L019, LS-38396, OR110134, SY038924, AX8004715, DB-019661, TR-021018, FT-0609392, P0571, ST24038473, ST50824962, MFCD00002447 (97%), 610T026, C-05217, I01-2745, F1995-0241, InChI=1/C7H6O5/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,8-10H,(H,11,12, 87795-40-2, D0E9NT, C7H6O5, 2,3,4-Trihydroxy-benzoic acid, C7-H6-O5, CID11874, 2,3,4-Trihydroxybenzoic acid, 99% - 25G 25g,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.022g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	170.12g/mol
Monoisotopic Mass	170.022g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	98A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number