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130112-19-5 | 2,5,8-Octadecatriyn-1-ol
CAS No: 130112-19-5 Catalog No: AG000U0A MDL No:
Product Description
Catalog Number:
AG000U0A
Chemical Name:
2,5,8-Octadecatriyn-1-ol
CAS Number:
130112-19-5
Molecular Formula:
C18H26O
Molecular Weight:
258.3984
IUPAC Name:
octadeca-2,5,8-triyn-1-ol
InChI:
InChI=1S/C18H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-9,12,15,18H2,1H3
InChI Key:
HTGMQLJOQGGHNC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC#CCC#CCC#CCO
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.198g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.405g/mol
Monoisotopic Mass:
258.198g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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