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4-Ethynylpyridine Hydrochloride (>85%)

CAT: 0572-TRC-B124843-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B124843-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
352530-29-1
Hazard Statement
No Data Available
Smiles
Cl.C#Cc1ccncc1
Molecular Formula
C7 H5 N . H Cl
Molecular Weight
139.582
InChI
InChI=1S/C7H5N.ClH/c1-2-7-3-5-8-6-4-7;/h1,3-6H;1H
Additionnal Information
IUPAC name: 4-ethynylpyridine;hydrochloride
Shipping Conditions
Room Temperature

Chemical Information

4-Ethynylpyridine hydrochloride
CAS Number352530-29-1
PubChem CID16216931
IUPAC Name4-ethynylpyridine;hydrochloride
Molecular FormulaC7H6ClN
Molecular Weight139.58
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity103
SMILES
C#CC1=CC=NC=C1.Cl
InChI
InChI=1S/C7H5N.ClH/c1-2-7-3-5-8-6-4-7;/h1,3-6H;1H
InChIKey
KFBZWZGIZHLUBX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Ethynylpyridine hydrochloride
CAS: 352530-29-1
CID: 16216931
Formula: C7H6ClN
MW: 139.58
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight139.58
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass139.0188769
Monoisotopic Mass139.0188769
Topological Polar Surface Area12.9 Ų
Heavy Atom Count9
Formal Charge0
Complexity103
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes