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114020-45-0 | 7-Octene-3,5-diyn-1-ol
CAS No: 114020-45-0 Catalog No: AG000AAZ MDL No:
Product Description
Catalog Number:
AG000AAZ
Chemical Name:
7-Octene-3,5-diyn-1-ol
CAS Number:
114020-45-0
Molecular Formula:
C8H8O
Molecular Weight:
120.1485
IUPAC Name:
oct-7-en-3,5-diyn-1-ol
InChI:
InChI=1S/C8H8O/c1-2-3-4-5-6-7-8-9/h2,9H,1,7-8H2
InChI Key:
AGWFAJXETXIOEE-UHFFFAOYSA-N
SMILES:
OCCC#CC#CC=C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.058g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
120.151g/mol
Monoisotopic Mass:
120.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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