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Home > Other Heterocycles > 93750-02-8
93750-02-8 | Spiro[2.5]octane-4,8-dione, 6,6-dimethyl-1-phenyl-
CAS No: 93750-02-8 Catalog No: AG006EC7 MDL No:
Product Description
Catalog Number:
AG006EC7
Chemical Name:
Spiro[2.5]octane-4,8-dione, 6,6-dimethyl-1-phenyl-
CAS Number:
93750-02-8
Molecular Formula:
C16H18O2
Molecular Weight:
242.3129
IUPAC Name:
6,6-dimethyl-2-phenylspiro[2.5]octane-4,8-dione
InChI:
InChI=1S/C16H18O2/c1-15(2)9-13(17)16(14(18)10-15)8-12(16)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
InChI Key:
VAYFZALOIWWZOL-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)CC(=O)C21CC2c1ccccc1
Properties
Complexity:
368
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:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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