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Propyl Gallate EP Impurity A

CAT: 1506-KL-02-02071Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1506-KL-02-02071Size:100 mg
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CAS Number
149-91-7
Specifications
Impurity

Chemical Information

Gallic Acid

Gallic acid is a trihydroxybenzoic acid in which the hydroxy groups are at positions 3, 4, and 5. It has a role as a geroprotector, an antioxidant, an antineoplastic agent, a cyclooxygenase 2 inhibitor, an EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor, an apoptosis inducer, an astringent, a plant metabolite and a human xenobiotic metabolite. It is a conjugate acid of a gallate.

CAS Number149-91-7
PubChem CID370
IUPAC Name3,4,5-trihydroxybenzoic acid
Molecular FormulaC7H6O5
Molecular Weight170.12
XLogP0.7
Topological Polar Surface Area98
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity169
SMILES
C1=C(C=C(C(=C1O)O)O)C(=O)O
InChI
InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)
InChIKey
LNTHITQWFMADLM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gallic Acid
CAS: 149-91-7
CID: 370
Formula: C7H6O5
MW: 170.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight170.12
XLogP30.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass170.02152329
Monoisotopic Mass170.02152329
Topological Polar Surface Area98 Ų
Heavy Atom Count12
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 Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
AR-G02009-01Propyl Gallate Impurity 1
AR-G02010-01Propyl Gallate Impurity 2
AB3358Propyl gallate

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