Products for Research Use Only

2-Hydroxybenzonitrile

CAT: 0013-GTR19251702Size: 25 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19251702Size:25 g
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Description
2-Hydroxybenzonitrile
CAS Number
611-20-1
Purity
99.56% (May vary between batches)
Smiles
OC1=C (C=CC=C1) C#N
Molecular Formula
C7H5NO
Molecular Weight
119.12
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Hydroxybenzonitrile

2-Cyanophenol is a nitrile and a member of benzenes.

CAS Number611-20-1
PubChem CID11907
IUPAC Name2-hydroxybenzonitrile
Molecular FormulaC7H5NO
Molecular Weight119.12
XLogP1.6
Topological Polar Surface Area44
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity135
SMILES
C1=CC=C(C(=C1)C#N)O
InChI
InChI=1S/C7H5NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H
InChIKey
CHZCERSEMVWNHL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxybenzonitrile
CAS: 611-20-1
CID: 11907
Formula: C7H5NO
MW: 119.12
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight119.12
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass119.037113783
Monoisotopic Mass119.037113783
Topological Polar Surface Area44 Ų
Heavy Atom Count9
Formal Charge0
Complexity135
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