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884856-10-4 | 5,9,21-Nonacosatrienoic acid
CAS No: 884856-10-4 Catalog No: AG0049W5 MDL No:
Product Description
Catalog Number:
AG0049W5
Chemical Name:
5,9,21-Nonacosatrienoic acid
CAS Number:
884856-10-4
Molecular Formula:
C29H52O2
Molecular Weight:
432.7220
IUPAC Name:
nonacosa-5,9,21-trienoic acid
InChI:
InChI=1S/C29H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(30)31/h8-9,20-21,24-25H,2-7,10-19,22-23,26-28H2,1H3,(H,30,31)
InChI Key:
KGLBESMXVOAFCZ-UHFFFAOYSA-N
SMILES:
CCCCCCCC=CCCCCCCCCCCC=CCCC=CCCCC(=O)O
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.397g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
432.733g/mol
Monoisotopic Mass:
432.397g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
11.4
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