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2,5-Octadiyn-1-ol

CAT: 0024-sc-477995Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-477995Size:100 mg
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CAS Number
35378-76-8

Chemical Information

2,5-Octadiyn-1-ol
CAS Number35378-76-8
PubChem CID13564189
IUPAC Nameocta-2,5-diyn-1-ol
Molecular FormulaC8H10O
Molecular Weight122.16
XLogP1.3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity178
SMILES
CCC#CCC#CCO
InChI
InChI=1S/C8H10O/c1-2-3-4-5-6-7-8-9/h9H,2,5,8H2,1H3
InChIKey
TXUHNLOXWCWCHH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Octadiyn-1-ol
CAS: 35378-76-8
CID: 13564189
Formula: C8H10O
MW: 122.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight122.16
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass122.073164938
Monoisotopic Mass122.073164938
Topological Polar Surface Area20.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity178
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