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160323-42-2 | 12,14-Pentacosadiyn-1-ol, 25-mercapto-
CAS No: 160323-42-2 Catalog No: AG001RUO MDL No:
Product Description
Catalog Number:
AG001RUO
Chemical Name:
12,14-Pentacosadiyn-1-ol, 25-mercapto-
CAS Number:
160323-42-2
Molecular Formula:
C25H44OS
Molecular Weight:
392.6813
IUPAC Name:
25-sulfanylpentacosa-12,14-diyn-1-ol
InChI:
InChI=1S/C25H44OS/c26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27/h26-27H,4,6-25H2
InChI Key:
FWDMCILBQSCYOB-UHFFFAOYSA-N
SMILES:
OCCCCCCCCCCCC#CC#CCCCCCCCCCCS
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.311g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
392.686g/mol
Monoisotopic Mass:
392.311g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
21.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.7
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