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M-Hydroxybenzonitrile

CAT: 0926-FH64161-04Size: 2000 gDry Ice: NoHazardous: No
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CAT#:0926-FH64161-04Size:2000 g
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CAS Number
873-62-1
Synonyms
3-Cyanophenol
MDL Number
MFCD00002252
Smiles
C1=CC (=CC (=C1) O) C#N
Molecular Formula
C7H5NO
Molecular Weight
119.12 g/mol
Controlled
No

Chemical Information

3-Cyanophenol

structure in first source

CAS Number873-62-1
PubChem CID13394
IUPAC Name3-hydroxybenzonitrile
Molecular FormulaC7H5NO
Molecular Weight119.12
XLogP1.7
Topological Polar Surface Area44
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity135
SMILES
C1=CC(=CC(=C1)O)C#N
InChI
InChI=1S/C7H5NO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H
InChIKey
SGHBRHKBCLLVCI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Cyanophenol
CAS: 873-62-1
CID: 13394
Formula: C7H5NO
MW: 119.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight119.12
XLogP31.7
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

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