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Home > Other Heterocycles > 919299-06-2
919299-06-2 | 5-Oxaspiro[2.5]oct-7-en-4-one, 1-(1-cyclohexen-1-yl)-, (1S)-
CAS No: 919299-06-2 Catalog No: AG00676I MDL No:
Product Description
Catalog Number:
AG00676I
Chemical Name:
5-Oxaspiro[2.5]oct-7-en-4-one, 1-(1-cyclohexen-1-yl)-, (1S)-
CAS Number:
919299-06-2
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
IUPAC Name:
(2S)-2-(cyclohexen-1-yl)-5-oxaspiro[2.5]oct-7-en-4-one
InChI:
InChI=1S/C13H16O2/c14-12-13(7-4-8-15-12)9-11(13)10-5-2-1-3-6-10/h4-5,7,11H,1-3,6,8-9H2/t11-,13?/m0/s1
InChI Key:
QAWUMKONVRXMGM-AMGKYWFPSA-N
SMILES:
O=C1OCC=CC21C[C@H]2C1=CCCCC1
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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