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139722-81-9

139722-81-9 | 4,15-Docosadien-1-yn-3-ol

CAS No: 139722-81-9 Catalog No: AG001BM1 MDL No:

Product Description

Catalog Number:
AG001BM1
Chemical Name:
4,15-Docosadien-1-yn-3-ol
CAS Number:
139722-81-9
Molecular Formula:
C22H38O
Molecular Weight:
318.5365
IUPAC Name:
docosa-4,15-dien-1-yn-3-ol
InChI:
InChI=1S/C22H38O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)4-2/h2,9-10,20-23H,3,5-8,11-19H2,1H3
InChI Key:
HEXQBSKJVUFXNG-UHFFFAOYSA-N
SMILES:
CCCCCCC=CCCCCCCCCCC=CC(C#C)O

Properties

Complexity:
331  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.292g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
318.545g/mol
Monoisotopic Mass:
318.292g/mol
Rotatable Bond Count:
16  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
2  
XLogP3:
8.4  

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