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116239-70-4 | 2H-Cyclopenta[b]furan-2-one, 4-cyclohexylidene-3,3a,4,6a-tetrahydro-
CAS No: 116239-70-4 Catalog No: AG000C0J MDL No:
Product Description
Catalog Number:
AG000C0J
Chemical Name:
2H-Cyclopenta[b]furan-2-one, 4-cyclohexylidene-3,3a,4,6a-tetrahydro-
CAS Number:
116239-70-4
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
IUPAC Name:
4-cyclohexylidene-3a,6a-dihydro-3H-cyclopenta[b]furan-2-one
InChI:
InChI=1S/C13H16O2/c14-13-8-11-10(6-7-12(11)15-13)9-4-2-1-3-5-9/h6-7,11-12H,1-5,8H2
InChI Key:
JOQLAVWKXSXIKD-UHFFFAOYSA-N
SMILES:
O=C1OC2C(C1)C(=C1CCCCC1)C=C2
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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