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Home > Other Heterocycles > 90611-94-2
90611-94-2 | 8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-one
CAS No: 90611-94-2 Catalog No: AG01AK5L MDL No:MFCD19982437
Product Description
Catalog Number:
AG01AK5L
Chemical Name:
8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-one
CAS Number:
90611-94-2
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
MDL Number:
MFCD19982437
IUPAC Name:
8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-one
InChI:
InChI=1S/C9H14O2/c1-9(2)7(10)6-4-3-5-11-8(6)9/h6,8H,3-5H2,1-2H3
InChI Key:
KLTAJTHKXFNMDQ-UHFFFAOYSA-N
SMILES:
O=C1C2CCCOC2C1(C)C
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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