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Home > Other Heterocycles > 80706-57-6
80706-57-6 | Ethanone, 1-(2-methyl-1-oxaspiro[2.2]pent-2-yl)-
CAS No: 80706-57-6 Catalog No: AG0058P8 MDL No:
Product Description
Catalog Number:
AG0058P8
Chemical Name:
Ethanone, 1-(2-methyl-1-oxaspiro[2.2]pent-2-yl)-
CAS Number:
80706-57-6
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
IUPAC Name:
1-(2-methyl-1-oxaspiro[2.2]pentan-2-yl)ethanone
InChI:
InChI=1S/C7H10O2/c1-5(8)6(2)7(9-6)3-4-7/h3-4H2,1-2H3
InChI Key:
GVJLIVQKECIWPY-UHFFFAOYSA-N
SMILES:
CC(=O)C1(C)OC21CC2
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.155g/mol
Monoisotopic Mass:
126.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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