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(3-Ethynylcyclopentyl) methanol

CAT: 0127-OR1072874-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1072874-01Size:100 mg
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CAS Number
1410810-55-7
MDL Number
MFCD29053971
Purity
95%
Smiles
OCC1CC(CC1)C#C

Chemical Information

(3-Ethynylcyclopentyl)methanol
CAS Number1410810-55-7
PubChem CID89182655
IUPAC Name(3-ethynylcyclopentyl)methanol
Molecular FormulaC8H12O
Molecular Weight124.18
XLogP1.2
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity131
SMILES
C#CC1CCC(C1)CO
InChI
InChI=1S/C8H12O/c1-2-7-3-4-8(5-7)6-9/h1,7-9H,3-6H2
InChIKey
AOJKGCMCYZMFHZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (3-Ethynylcyclopentyl)methanol
CAS: 1410810-55-7
CID: 89182655
Formula: C8H12O
MW: 124.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight124.18
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass124.088815002
Monoisotopic Mass124.088815002
Topological Polar Surface Area20.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity131
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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