Catechol

Compound Structure:

Synonyms:

Pyrocatechol;catechol;120-80-9;1,2-dihydroxybenzene;1,2-benzenediol;benzene-1,2-diol;pyrocatechin;2-hydroxyphenol;o-Benzenediol;o-Dihydroxybenzene;o-Dioxybenzene;o-Hydroquinone;o-Hydroxyphenol;Phthalhydroquinone;Pyrocatechine;o-Phenylenediol

Compound ID:

NMPC-734

PubChem ID:

289

Molecular Formula:

C6H6O2

Canonical SMILES:

C1=CC=C(C(=C1)O)O

InChIKey:

YCIMNLLNPGFGHC-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	436.4 g/mol
XLogP3	-0.9
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	3
Exact Mass	436.13694696 g/mol
Monoisotopic Mass	436.13694696 g/mol
Topological Polar Surface Area	169Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	607
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Pennisetum purpureum
Ximenia americana
Vernonia blumeoides
Luffa cylindrica

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