Pyrocatechol 98.0%

CAT: 0459-027653-04Size: 500 gDry Ice: NoHazardous: No

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CAT#:0459-027653-04Size:500 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

120-80-9

Chemical Information

Catechol

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

CAS Number	120-80-9
PubChem CID	289
IUPAC Name	benzene-1,2-diol
Molecular Formula	C6H6O2
Molecular Weight	110.11
XLogP	0.9
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	62

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

CAS: 120-80-9

CID: 289

Formula: C6H6O2

MW: 110.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	110.11
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	110.036779430
Monoisotopic Mass	110.036779430
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	62.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
241427-01	Pyrocatechol Violet 98+%
02229 00500	Pyrocatechol 98% For Synthesis
T4847	Pyrocatechol
HY-153993	Pyrocatechol sulfate
T211804-01	Pyrocatechol-d4
P31440-01	Pyrocatechol 99%
1162090 500	Pyrocatechol AR
P998890	Pyrocatechol Violet
TN4868-01	Pyrocatechol monoglucoside
RG-A261518-01	Pyrocatechol-D6