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16863-64-2 | 3,11-Tridecadiene-5,7,9-triyn-1-ol, 2-chloro-, (3E,11E)-
CAS No: 16863-64-2 Catalog No: AG001Y7T MDL No:
Product Description
Catalog Number:
AG001Y7T
Chemical Name:
3,11-Tridecadiene-5,7,9-triyn-1-ol, 2-chloro-, (3E,11E)-
CAS Number:
16863-64-2
Molecular Formula:
C13H11ClO
Molecular Weight:
218.6788
IUPAC Name:
2-chlorotrideca-3,11-dien-5,7,9-triyn-1-ol
InChI:
InChI=1S/C13H11ClO/c1-2-3-4-5-6-7-8-9-10-11-13(14)12-15/h2-3,10-11,13,15H,12H2,1H3
InChI Key:
YYPASFKEHCFNLV-UHFFFAOYSA-N
SMILES:
C/C=C/C#CC#CC#C/C=C/C(CO)Cl
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.05g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.68g/mol
Monoisotopic Mass:
218.05g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
2.9
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