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Home > Other Heterocycles > 139330-32-8
139330-32-8 | 2-Oxaspiro[4.5]dec-3-en-1-one, 4-methyl-3-phenyl-
CAS No: 139330-32-8 Catalog No: AG001ARJ MDL No:
Product Description
Catalog Number:
AG001ARJ
Chemical Name:
2-Oxaspiro[4.5]dec-3-en-1-one, 4-methyl-3-phenyl-
CAS Number:
139330-32-8
Molecular Formula:
C16H18O2
Molecular Weight:
242.3129
IUPAC Name:
4-methyl-3-phenyl-2-oxaspiro[4.5]dec-3-en-1-one
InChI:
InChI=1S/C16H18O2/c1-12-14(13-8-4-2-5-9-13)18-15(17)16(12)10-6-3-7-11-16/h2,4-5,8-9H,3,6-7,10-11H2,1H3
InChI Key:
MXDQENHJFWHVMX-UHFFFAOYSA-N
SMILES:
O=C1OC(=C(C21CCCCC2)C)c1ccccc1
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.318g/mol
Monoisotopic Mass:
242.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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