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Home > Other Heterocycles > 80706-58-7
80706-58-7 | Methanone, (2-methyl-1-oxaspiro[2.2]pent-2-yl)phenyl-
CAS No: 80706-58-7 Catalog No: AG0058P7 MDL No:
Product Description
Catalog Number:
AG0058P7
Chemical Name:
Methanone, (2-methyl-1-oxaspiro[2.2]pent-2-yl)phenyl-
CAS Number:
80706-58-7
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
IUPAC Name:
(2-methyl-1-oxaspiro[2.2]pentan-2-yl)-phenylmethanone
InChI:
InChI=1S/C12H12O2/c1-11(12(14-11)7-8-12)10(13)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChI Key:
ZIDTYFGSFWYQQW-UHFFFAOYSA-N
SMILES:
O=C(C1(C)OC21CC2)c1ccccc1
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.226g/mol
Monoisotopic Mass:
188.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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