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Home > Other Heterocycles > 919299-08-4
919299-08-4 | 5-Oxaspiro[2.5]oct-7-en-4-one, 1-[(1E)-2-phenylethenyl]-, (1S)-
CAS No: 919299-08-4 Catalog No: AG00676H MDL No:
Product Description
Catalog Number:
AG00676H
Chemical Name:
5-Oxaspiro[2.5]oct-7-en-4-one, 1-[(1E)-2-phenylethenyl]-, (1S)-
CAS Number:
919299-08-4
Molecular Formula:
C15H14O2
Molecular Weight:
226.2705
IUPAC Name:
(2S)-2-(2-phenylethenyl)-5-oxaspiro[2.5]oct-7-en-4-one
InChI:
InChI=1S/C15H14O2/c16-14-15(9-4-10-17-14)11-13(15)8-7-12-5-2-1-3-6-12/h1-9,13H,10-11H2/t13-,15?/m1/s1
InChI Key:
VOSOYSQEZUYZHL-AFYYWNPRSA-N
SMILES:
O=C1OCC=CC21C[C@H]2/C=C/c1ccccc1
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
226.099g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.275g/mol
Monoisotopic Mass:
226.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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