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113393-64-9 | 1,4-Heptadecadiene-6,8-diyne-3,10-diol
CAS No: 113393-64-9 Catalog No: AG0008EG MDL No:
Product Description
Catalog Number:
AG0008EG
Chemical Name:
1,4-Heptadecadiene-6,8-diyne-3,10-diol
CAS Number:
113393-64-9
Molecular Formula:
C17H24O2
Molecular Weight:
260.3713
IUPAC Name:
heptadeca-1,4-dien-6,8-diyne-3,10-diol
InChI:
InChI=1S/C17H24O2/c1-3-5-6-7-11-14-17(19)15-12-9-8-10-13-16(18)4-2/h4,10,13,16-19H,2-3,5-7,11,14H2,1H3
InChI Key:
AGUAJNZMSVMFLB-UHFFFAOYSA-N
SMILES:
CCCCCCCC(C#CC#CC=CC(C=C)O)O
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.178g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.377g/mol
Monoisotopic Mass:
260.178g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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