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1-ethynylcyclopropan-1-ol

CAT: 1266-JH216857Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH216857Size:1 Each
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CAS Number
22935-35-9
HS Code
2933990099
Stability
Stable. Incompatible with strong oxidizing agents.
Molecular Formula
C5H6O
Molecular Weight
82.1
Product Name Synonym
Cyclopropanol,1-ethynyl
Safety Statements
S26-S36/37/39-S45

Chemical Information

1-Ethynylcyclopropan-1-ol
CAS Number22935-35-9
PubChem CID22714300
IUPAC Name1-ethynylcyclopropan-1-ol
Molecular FormulaC5H6O
Molecular Weight82.10
XLogP0.5
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity102
SMILES
C#CC1(CC1)O
InChI
InChI=1S/C5H6O/c1-2-5(6)3-4-5/h1,6H,3-4H2
InChIKey
QPACLFFIDGQFRT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Ethynylcyclopropan-1-ol
CAS: 22935-35-9
CID: 22714300
Formula: C5H6O
MW: 82.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight82.10
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass82.041864811
Monoisotopic Mass82.041864811
Topological Polar Surface Area20.2 Ų
Heavy Atom Count6
Formal Charge0
Complexity102
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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