AG003QQ1

5995-86-8 | 3,4,5-Trihydroxybenzoic acid hydrate

AG003QQ1

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CAS Number	5995-86-8
Catalog Number	AG003QQ1(AGN-PC-04Q054)
Chemical Name	3,4,5-Trihydroxybenzoic acid hydrate
EC Number	611-919-7
IUPAC Name	3,4,5-trihydroxybenzoic acid;hydrate
InChI	InChI=1S/C7H6O5.H2O/c8-4-1-3(7(11)12)2-5(9)6(4)10;/h1-2,8-10H,(H,11,12);1H2
InChI Key	IUTKPPDDLYYMBE-UHFFFAOYSA-N
MDL Number	MFCD00002510
Molecular Formula	C7H8O6
Molecular Weight	188.1348
SMILES	O=C(O)C1=CC(O)=C(O)C(O)=C1.[H]O[H]
UNII	48339473OT
Synonyms	Gallic acid monohydrate, 5995-86-8, 3,4,5-trihydroxybenzoic acid hydrate, 3,4,5-Trihydroxybenzoic acid monohydrate, Gallicum acidum, UNII-48339473OT, MFCD00149098, Benzoic acid, 3,4,5-trihydroxy-, hydrate, 48339473OT, Q-201147, Gallic acid monohydrate, ACS reagent, Gallic acid, monohydrate, galop hydrate, Gallicacidmonohydrate, GALLIC ACID, ACS, ACMC-1ARY0, Benzoic acid, 3,4,5-trihydroxy-, monohydrate, Gallic Acid Monohydrate,(S), Benzoic acid, 3,4,5-trihydroxy-, hydrate (1:1), KSC489M8B, C7H8O6, SCHEMBL1334688, CHEMBL3634562, CTK3I9680, 3, 4, 5-Trihydroxybenzoic Acid, IUTKPPDDLYYMBE-UHFFFAOYSA-N, BCP15870, EBD22202, ANW-33397, CG0030, GK3777, SBB063284, AKOS015888592, 3,4,5-trihydroxybenzoic acid, hydrate, API0002797, TRA0011069, KS-00000W59, 3,4,5-trihydroxybenzoic acid, oxamethane, AK116955, AS-14767, M516, 3,4,5-tris(oxidanyl)benzoic acid hydrate, RT-004575, ST2417226, FT-0655615, ST50825283, A832552, I01-1132, 3,4,5-Trihydroxybenzoic acid, 3,4,5-Trihydroxybenzoicacidhydrate, MFCD00002510, 3,4,5-Trihydroxybenzoesaure 1-Hydrat, 3,4,5-Trihydroxybenzoesaure-Monohydrat, Gallic Acid 99.5% extra pure 100gm, Gallic acid monohydrate, 98%, ACS reagent - 100G 100g, 3,4,5-Trihydroxybenzoic acid monohydrate, ACS, 98.0% min. 100g,

Complexity	169
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.032g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	188.135g/mol
Monoisotopic Mass	188.032g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	99A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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

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