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Home > Other Building Blocks > 113982-49-3
113982-49-3 | 4-Octen-6-yn-1-ol, (4E)-
CAS No: 113982-49-3 Catalog No: AG000A8N MDL No:
Product Description
Catalog Number:
AG000A8N
Chemical Name:
4-Octen-6-yn-1-ol, (4E)-
CAS Number:
113982-49-3
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
IUPAC Name:
oct-4-en-6-yn-1-ol
InChI:
InChI=1S/C8H12O/c1-2-3-4-5-6-7-8-9/h4-5,9H,6-8H2,1H3
InChI Key:
MNXUJKOKYJNQPH-UHFFFAOYSA-N
SMILES:
CC#C/C=C/CCCO
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.089g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
124.183g/mol
Monoisotopic Mass:
124.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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