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Home > Other Heterocycles > 128242-41-1
128242-41-1 | 5,8-Dioxaspiro[3.4]oct-2-en-1-one, 2-methyl-3-(1-methylethoxy)-
CAS No: 128242-41-1 Catalog No: AG000XVI MDL No:
Product Description
Catalog Number:
AG000XVI
Chemical Name:
5,8-Dioxaspiro[3.4]oct-2-en-1-one, 2-methyl-3-(1-methylethoxy)-
CAS Number:
128242-41-1
Molecular Formula:
C10H14O4
Molecular Weight:
198.2158
IUPAC Name:
2-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one
InChI:
InChI=1S/C10H14O4/c1-6(2)14-9-7(3)8(11)10(9)12-4-5-13-10/h6H,4-5H2,1-3H3
InChI Key:
SWKOSCOOBGXWAP-UHFFFAOYSA-N
SMILES:
CC(OC1=C(C)C(=O)C21OCCO2)C
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.089g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.218g/mol
Monoisotopic Mass:
198.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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