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89237-05-8 | 5,8-Tridecadiyn-7-ol, 7-methyl-
CAS No: 89237-05-8 Catalog No: AG0044G4 MDL No:
Product Description
Catalog Number:
AG0044G4
Chemical Name:
5,8-Tridecadiyn-7-ol, 7-methyl-
CAS Number:
89237-05-8
Molecular Formula:
C14H22O
Molecular Weight:
206.3239
IUPAC Name:
7-methyltrideca-5,8-diyn-7-ol
InChI:
InChI=1S/C14H22O/c1-4-6-8-10-12-14(3,15)13-11-9-7-5-2/h15H,4-9H2,1-3H3
InChI Key:
FOYOXKCUIPIBES-UHFFFAOYSA-N
SMILES:
CCCCC#CC(C#CCCCC)(O)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.167g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.329g/mol
Monoisotopic Mass:
206.167g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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