Tannic acid

Compound Structure:

Synonyms:

TANNIC ACID 1401-55-4 ;Gallotannin ;Glycerite; Chinese gallotannin

Compound ID:

NMPC-1511

PubChem ID:

16129778

Molecular Formula:

C76H52O46

Canonical SMILES:

C1=C(C=C(C(=C1O)O)O)C(=O)OC2=CC(=CC(=C2O)O)C(=O)OCC3C(C(C(C(O3)OC(=O)C4=CC(=C(C(=C4)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)OC(=O)C9=CC(=C(C(=C9)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)OC(=O)C1=CC(=C(

InChIKey:

LRBQNJMCXXYXIU-PPKXGCFTSA-N

About the compound:

GHS Hazard Statements

• H319 (76.51%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

• H412 (26.32%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	1701.2 g/mol
XLogP3-AA	6.2
Hydrogen Bond Donor Count	25
Hydrogen Bond Acceptor Count	46
Rotatable Bond Count	31
Exact Mass	1700.1729741 g/mol
Monoisotopic Mass	1700.1729741 g/mol
Topological Polar Surface Area	778Å²
Heavy Atom Count	122
Formal Charge	0
Complexity	3570
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	Tannic acid is a light yellow to tan solid with a faint odor. Sinks and mixes with water. (USCG, 1999)
Melting Point	200 °C
Density	greater than 1 at 68 °F (USCG, 1999)
Solubility	VERY SOL IN ALCOHOL, ACETONE; INSOL IN ETHER, BENZENE, CHLOROFORM & CARBON DISULFIDE

Source:PubChem

Source Species:

Talinum triangulare

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