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Gallic Acid 99.5% Extrapure

CAT: 1507-01271 00500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:1507-01271 00500Size:500 mg
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CAS Number
5995-86-8

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
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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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