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824416-99-1 | 2,4,8-Undecatrienoic acid, (2E,4E,8Z)-
CAS No: 824416-99-1 Catalog No: AG004W7B MDL No:
Product Description
Catalog Number:
AG004W7B
Chemical Name:
2,4,8-Undecatrienoic acid, (2E,4E,8Z)-
CAS Number:
824416-99-1
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
IUPAC Name:
undeca-2,4,8-trienoic acid
InChI:
InChI=1S/C11H16O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h3-4,7-10H,2,5-6H2,1H3,(H,12,13)
InChI Key:
ZUUTXDFQRTWXGB-UHFFFAOYSA-N
SMILES:
CC/C=C\CC/C=C/C=C/C(=O)O
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.247g/mol
Monoisotopic Mass:
180.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
2.9
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