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Home > Other Heterocycles > 67678-31-3
67678-31-3 | 1-Oxaspiro[3.5]nona-5,8-diene-2,7-dione, 6-methyl-3,3-diphenyl-
CAS No: 67678-31-3 Catalog No: AG00644D MDL No:
Product Description
Catalog Number:
AG00644D
Chemical Name:
1-Oxaspiro[3.5]nona-5,8-diene-2,7-dione, 6-methyl-3,3-diphenyl-
CAS Number:
67678-31-3
Molecular Formula:
C21H16O3
Molecular Weight:
316.3499
IUPAC Name:
6-methyl-3,3-diphenyl-1-oxaspiro[3.5]nona-5,8-diene-2,7-dione
InChI:
InChI=1S/C21H16O3/c1-15-14-20(13-12-18(15)22)21(19(23)24-20,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14H,1H3
InChI Key:
DXEQUWVIXLVOCV-UHFFFAOYSA-N
SMILES:
O=C1C=CC2(C=C1C)OC(=O)C2(c1ccccc1)c1ccccc1
Properties
Complexity:
585
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.11g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.356g/mol
Monoisotopic Mass:
316.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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