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82302-74-7 | 4-Octenoic acid, 8-(5-oxo-1-cyclopenten-1-yl)-, butyl ester, (Z)-
CAS No: 82302-74-7 Catalog No: AG004ZKS MDL No:
Product Description
Catalog Number:
AG004ZKS
Chemical Name:
4-Octenoic acid, 8-(5-oxo-1-cyclopenten-1-yl)-, butyl ester, (Z)-
CAS Number:
82302-74-7
Molecular Formula:
C17H26O3
Molecular Weight:
278.3865
IUPAC Name:
butyl 8-(5-oxocyclopenten-1-yl)oct-4-enoate
InChI:
InChI=1S/C17H26O3/c1-2-3-14-20-17(19)13-8-6-4-5-7-10-15-11-9-12-16(15)18/h4,6,11H,2-3,5,7-10,12-14H2,1H3
InChI Key:
IAJXNPCRCZVOFX-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)CC/C=C\CCCC1=CCCC1=O
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.188g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.392g/mol
Monoisotopic Mass:
278.188g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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