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Home > Other Heterocycles > 67104-11-4
67104-11-4 | 1-Oxaspiro[3.7]undecane-2,5,9-trione, 7,7-dimethyl-
CAS No: 67104-11-4 Catalog No: AG00648B MDL No:
Product Description
Catalog Number:
AG00648B
Chemical Name:
1-Oxaspiro[3.7]undecane-2,5,9-trione, 7,7-dimethyl-
CAS Number:
67104-11-4
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
IUPAC Name:
7,7-dimethyl-1-oxaspiro[3.7]undecane-2,5,9-trione
InChI:
InChI=1S/C12H16O4/c1-11(2)5-8(13)3-4-12(9(14)6-11)7-10(15)16-12/h3-7H2,1-2H3
InChI Key:
XNYNNAHUGLIWTH-UHFFFAOYSA-N
SMILES:
O=C1CC2(O1)CCC(=O)CC(CC2=O)(C)C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.256g/mol
Monoisotopic Mass:
224.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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