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88690-56-6 | 5,8,10-Heptadecatrienoic acid, hydroxy-
CAS No: 88690-56-6 Catalog No: AG0047U5 MDL No:
Product Description
Catalog Number:
AG0047U5
Chemical Name:
5,8,10-Heptadecatrienoic acid, hydroxy-
CAS Number:
88690-56-6
Molecular Formula:
C17H28O3
Molecular Weight:
280.4024
IUPAC Name:
2-hydroxyheptadeca-5,8,10-trienoic acid
InChI:
InChI=1S/C17H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(18)17(19)20/h7-10,12-13,16,18H,2-6,11,14-15H2,1H3,(H,19,20)
InChI Key:
ZQGJYQSRFLCAPZ-UHFFFAOYSA-N
SMILES:
CCCCCCC=CC=CCC=CCCC(C(=O)O)O
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.204g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.408g/mol
Monoisotopic Mass:
280.204g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
3
XLogP3:
5
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