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123739-44-6 | Docosapentaen-1-ol (9CI)
CAS No: 123739-44-6 Catalog No: AG000L16 MDL No:
Product Description
Catalog Number:
AG000L16
Chemical Name:
Docosapentaen-1-ol (9CI)
CAS Number:
123739-44-6
Molecular Formula:
C22H36O
Molecular Weight:
316.5206
IUPAC Name:
docosa-1,3,5,7,9-pentaen-1-ol
InChI:
InChI=1S/C22H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h13-23H,2-12H2,1H3
InChI Key:
SKOLPAOOCLOBNH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC=CC=CC=CC=CC=CO
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.277g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.529g/mol
Monoisotopic Mass:
316.277g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
5
XLogP3:
9.2
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