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Pyrocatechol

CAT: 0013-GTR19257487Size: 2 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19257487Size:2 g
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Description
Pyrocatechol, often known as catechol or benzene-1,2-diol, is a benzenediol, Pyrocatechol was produced at a large scale industrially, mainly as precursors to pesticides, flavors, and fragrances. Its sulfonic acid is often present in the urine of many mammals.
CAS Number
120-80-9
Product Name Alternative
Hydroxyl radical (OH) scavenging activity, Endogenous Metabolite, EndogenousMetabolite, Carbonic Anhydrase, CarbonicAnhydrase, Carbonic anhydrase 5B, Pyrocatechol
Field of Research
Metabolism Research
Purity
99.96% (May vary between batches)
Smiles
Oc1ccccc1O
Molecular Formula
C6H6O2
Molecular Weight
110.11
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Catechol

Catechol can cause cancer according to The World Health Organization's International Agency for Research on Cancer (IARC).

CAS Number120-80-9
PubChem CID289
IUPAC Namebenzene-1,2-diol
Molecular FormulaC6H6O2
Molecular Weight110.11
XLogP0.9
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity62
SMILES
C1=CC=C(C(=C1)O)O
InChI
InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
InChIKey
YCIMNLLNPGFGHC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Catechol
CAS: 120-80-9
CID: 289
Formula: C6H6O2
MW: 110.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight110.11
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass110.036779430
Monoisotopic Mass110.036779430
Topological Polar Surface Area40.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity62.9
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

Alternative Products

CatalogName
T4847Pyrocatechol
HY-153993Pyrocatechol sulfate
T211804-01Pyrocatechol-d4
P31440-01Pyrocatechol 99%
1162090 500Pyrocatechol AR
P998890Pyrocatechol Violet
TN4868-01Pyrocatechol monoglucoside
RG-A261518-01Pyrocatechol-D6

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