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17756-68-2 | 2(5H)-Furanone, 5-octyl-
CAS No: 17756-68-2 Catalog No: AG0025E5 MDL No:
Product Description
Catalog Number:
AG0025E5
Chemical Name:
2(5H)-Furanone, 5-octyl-
CAS Number:
17756-68-2
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
IUPAC Name:
2-octyl-2H-furan-5-one
InChI:
InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h9-11H,2-8H2,1H3
InChI Key:
BWXCHUAWFSHXMU-UHFFFAOYSA-N
SMILES:
CCCCCCCCC1C=CC(=O)O1
EC Number:
241-746-9
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.146g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.29g/mol
Monoisotopic Mass:
196.146g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| The effect of butenolide on behavioral and morphological changes in two marine fouling species, the barnacle Balanus amphitrite and the bryozoan Bugula neritina. | Biofouling 20110501 |
| Acute toxicity of the antifouling compound butenolide in non-target organisms. | PloS one 20110101 |
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