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Gallic Acid

CAT: 0203-16520-42Size: 25 gDry Ice: NoHazardous: No
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CAT#:0203-16520-42Size:25 g
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CAS Number
5995-86-8
Purity
≧ 97.0% (HPLC)
Storage Conditions
Room Temperature
Grade
EP (Extra Pure Reagent)

Chemical Information

Gallic acid monohydrate

See also: Gallic Acid (has active moiety); THY-Plex (FDA NDC: 64616-106) (component of); Opsin I 6014 (FDA NDC: 63083-6014) (component of) ... View More ...

CAS Number5995-86-8
PubChem CID24721416
IUPAC Name3,4,5-trihydroxybenzoic acid;hydrate
Molecular FormulaC7H8O6
Molecular Weight188.13
Topological Polar Surface Area99
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity169
SMILES
C1=C(C=C(C(=C1O)O)O)C(=O)O.O
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
InChIKey
IUTKPPDDLYYMBE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gallic acid monohydrate
CAS: 5995-86-8
CID: 24721416
Formula: C7H8O6
MW: 188.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight188.13
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass188.03208797
Monoisotopic Mass188.03208797
Topological Polar Surface Area99 Ų
Heavy Atom Count13
Formal Charge0
Complexity169
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
N1830-5.1Gallic acid

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