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158754-21-3 | 4,7,10,13,16,19-Docosahexaenoyl chloride
CAS No: 158754-21-3 Catalog No: AG001QU3 MDL No:
Product Description
Catalog Number:
AG001QU3
Chemical Name:
4,7,10,13,16,19-Docosahexaenoyl chloride
CAS Number:
158754-21-3
Molecular Formula:
C22H31ClO
Molecular Weight:
346.9339
IUPAC Name:
docosa-4,7,10,13,16,19-hexaenoyl chloride
InChI:
InChI=1S/C22H31ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3
InChI Key:
QUABXVPAILNJRV-UHFFFAOYSA-N
SMILES:
CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)Cl
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.206g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.939g/mol
Monoisotopic Mass:
346.206g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
6
XLogP3:
7.2
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