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139477-51-3 | 2(3H)-Furanone, dihydro-5-(1-octynyl)-, (S)- (9CI)
CAS No: 139477-51-3 Catalog No: AG001B37 MDL No:
Product Description
Catalog Number:
AG001B37
Chemical Name:
2(3H)-Furanone, dihydro-5-(1-octynyl)-, (S)- (9CI)
CAS Number:
139477-51-3
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
5-oct-1-ynyloxolan-2-one
InChI:
InChI=1S/C12H18O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h11H,2-6,9-10H2,1H3
InChI Key:
BQEYXXKXBICFDS-UHFFFAOYSA-N
SMILES:
CCCCCCC#C[C@@H]1CCC(=O)O1
Properties
Complexity:
244
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:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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