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141682-12-4 | 5,7-Octadiyn-1-ol
CAS No: 141682-12-4 Catalog No: AG001GVR MDL No:
Product Description
Catalog Number:
AG001GVR
Chemical Name:
5,7-Octadiyn-1-ol
CAS Number:
141682-12-4
Molecular Formula:
C8H10O
Molecular Weight:
122.1644
IUPAC Name:
octa-5,7-diyn-1-ol
InChI:
InChI=1S/C8H10O/c1-2-3-4-5-6-7-8-9/h1,9H,5-8H2
InChI Key:
MUPPZGZHSCECDA-UHFFFAOYSA-N
SMILES:
OCCCCC#CC#C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.073g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
122.167g/mol
Monoisotopic Mass:
122.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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