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89682-65-5 | 2,4-Heptadecadiene-8,11-diyne-1,6-diol, (E,Z)-
CAS No: 89682-65-5 Catalog No: AG0043A2 MDL No:
Product Description
Catalog Number:
AG0043A2
Chemical Name:
2,4-Heptadecadiene-8,11-diyne-1,6-diol, (E,Z)-
CAS Number:
89682-65-5
Molecular Formula:
C17H24O2
Molecular Weight:
260.3713
IUPAC Name:
heptadeca-2,4-dien-8,11-diyne-1,6-diol
InChI:
InChI=1S/C17H24O2/c1-2-3-4-5-6-7-8-9-11-14-17(19)15-12-10-13-16-18/h10,12-13,15,17-19H,2-5,8,14,16H2,1H3
InChI Key:
JZILMSZGPVVXKO-UHFFFAOYSA-N
SMILES:
CCCCCC#CCC#CCC(/C=C\C=C\CO)O
Properties
Complexity:
392
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:
7
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
3.7
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