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114020-68-7 | 9-Pentadecene-12,14-diyne-1,11-diol, (Z)- (9CI)
CAS No: 114020-68-7 Catalog No: AG000AAX MDL No:
Product Description
Catalog Number:
AG000AAX
Chemical Name:
9-Pentadecene-12,14-diyne-1,11-diol, (Z)- (9CI)
CAS Number:
114020-68-7
Molecular Formula:
C15H22O2
Molecular Weight:
234.3340
IUPAC Name:
pentadec-9-en-12,14-diyne-1,11-diol
InChI:
InChI=1S/C15H22O2/c1-2-3-12-15(17)13-10-8-6-4-5-7-9-11-14-16/h1,10,13,15-17H,4-9,11,14H2
InChI Key:
KIIGQXVIHZSFAX-UHFFFAOYSA-N
SMILES:
OCCCCCCCC/C=C\C(C#CC#C)O
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.339g/mol
Monoisotopic Mass:
234.162g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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