The Biofilms Structural Database
Back

Catechol 67984-81-0

Code

P3K

Name

2,3-bis(oxidanyl)benzenecarbonitrile

Molecular Weight

135.12

Isomeric SMILES

c1cc(c(c(c1)O)O)C#N

Formula

C7H5NO2

Identifiers

2,3-bis(oxidanyl)benzenecarbonitrile

Formal Charge

0

InChI

InChI=1S/C7H5NO2/c8-4-5-2-1-3-6(9)7(5)10/h1-3,9-10H

Atom Count

15

InChIKey

XHPDHXXZBWDFIB-UHFFFAOYSA-N

PDB codes

6YO3

Type

NON-POLYMER

Chiral Atom Count

0

Chiral Atoms

n/a

Bond Count

15

Aromatic Bond Count

6

Leaving Atoms

n/a