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3-Amino-2-hydroxybenzonitrile

CAT: 0572-TRC-A612340-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-A612340-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
67608-57-5
Hazard Statement
No Data Available
Smiles
Nc1cccc(C#N)c1O
Molecular Formula
C7 H6 N2 O
Molecular Weight
134.135
InChI
InChI=1S/C7H6N2O/c8-4-5-2-1-3-6(9)7(5)10/h1-3,10H,9H2
Additionnal Information
IUPAC name: 3-amino-2-hydroxybenzonitrile
Shipping Conditions
Room Temperature

Chemical Information

3-Amino-2-hydroxybenzonitrile
CAS Number67608-57-5
PubChem CID12468681
IUPAC Name3-amino-2-hydroxybenzonitrile
Molecular FormulaC7H6N2O
Molecular Weight134.14
XLogP1.2
Topological Polar Surface Area70
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity160
SMILES
C1=CC(=C(C(=C1)N)O)C#N
InChI
InChI=1S/C7H6N2O/c8-4-5-2-1-3-6(9)7(5)10/h1-3,10H,9H2
InChIKey
FMQVUWGTHZPXQU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Amino-2-hydroxybenzonitrile
CAS: 67608-57-5
CID: 12468681
Formula: C7H6N2O
MW: 134.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight134.14
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass134.048012819
Monoisotopic Mass134.048012819
Topological Polar Surface Area70 Ų
Heavy Atom Count10
Formal Charge0
Complexity160
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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