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849612-35-7 | 8,10,13-Hexadecatrienoic acid, 7-hydroxy-, (8E,10Z,13Z)-
CAS No: 849612-35-7 Catalog No: AG004UTR MDL No:
Product Description
Catalog Number:
AG004UTR
Chemical Name:
8,10,13-Hexadecatrienoic acid, 7-hydroxy-, (8E,10Z,13Z)-
CAS Number:
849612-35-7
Molecular Formula:
C16H26O3
Molecular Weight:
266.3758
IUPAC Name:
7-hydroxyhexadeca-8,10,13-trienoic acid
InChI:
InChI=1S/C16H26O3/c1-2-3-4-5-6-7-9-12-15(17)13-10-8-11-14-16(18)19/h3-4,6-7,9,12,15,17H,2,5,8,10-11,13-14H2,1H3,(H,18,19)
InChI Key:
AQDGYKAHAWRIDJ-UHFFFAOYSA-N
SMILES:
CC/C=C\C/C=C\C=C\C(CCCCCC(=O)O)O
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.188g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.381g/mol
Monoisotopic Mass:
266.188g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
3
XLogP3:
3.6
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