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115111-97-2 | Docosahexaen-1-ol (9CI)
CAS No: 115111-97-2 Catalog No: AG000GAI MDL No:
Product Description
Catalog Number:
AG000GAI
Chemical Name:
Docosahexaen-1-ol (9CI)
CAS Number:
115111-97-2
Molecular Formula:
C22H34O
Molecular Weight:
314.5048
IUPAC Name:
docosa-1,3,5,7,9,11-hexaen-1-ol
InChI:
InChI=1S/C22H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h11-23H,2-10H2,1H3
InChI Key:
KKQBNQXZNTVMBZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCC=CC=CC=CC=CC=CC=CO
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.261g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.513g/mol
Monoisotopic Mass:
314.261g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
6
XLogP3:
8.7
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