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101125-55-7 | 2(5H)-Furanone, 5-(1E)-1-octen-1-yl-
CAS No: 101125-55-7 Catalog No: AG0003T0 MDL No:
Product Description
Catalog Number:
AG0003T0
Chemical Name:
2(5H)-Furanone, 5-(1E)-1-octen-1-yl-
CAS Number:
101125-55-7
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
2-oct-1-enyl-2H-furan-5-one
InChI:
InChI=1S/C12H18O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h7-11H,2-6H2,1H3
InChI Key:
LWZNCRGBRFVFLB-UHFFFAOYSA-N
SMILES:
CCCCCC/C=C/C1OC(=O)C=C1
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.274g/mol
Monoisotopic Mass:
194.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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