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138828-83-8 | 4,6-Octadiyn-3-ol, 8-(3-heptyl-2-oxiranyl)-
CAS No: 138828-83-8 Catalog No: AG0019O2 MDL No:
Product Description
Catalog Number:
AG0019O2
Chemical Name:
4,6-Octadiyn-3-ol, 8-(3-heptyl-2-oxiranyl)-
CAS Number:
138828-83-8
Molecular Formula:
C17H26O2
Molecular Weight:
262.3871
IUPAC Name:
8-(3-heptyloxiran-2-yl)octa-4,6-diyn-3-ol
InChI:
InChI=1S/C17H26O2/c1-3-5-6-7-10-13-16-17(19-16)14-11-8-9-12-15(18)4-2/h15-18H,3-7,10,13-14H2,1-2H3
InChI Key:
WDZQEROINMBCOK-UHFFFAOYSA-N
SMILES:
CCCCCCCC1OC1CC#CC#CC(CC)O
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.193g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.393g/mol
Monoisotopic Mass:
262.193g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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