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Home > Other Heterocycles > 101581-02-6
101581-02-6 | 2-Oxabicyclo[3.2.1]octan-3-one, 1-methyl-
CAS No: 101581-02-6 Catalog No: AG0004UN MDL No:
Product Description
Catalog Number:
AG0004UN
Chemical Name:
2-Oxabicyclo[3.2.1]octan-3-one, 1-methyl-
CAS Number:
101581-02-6
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
1-methyl-2-oxabicyclo[3.2.1]octan-3-one
InChI:
InChI=1S/C8H12O2/c1-8-3-2-6(5-8)4-7(9)10-8/h6H,2-5H2,1H3
InChI Key:
XIWOFWUFUFBSQF-UHFFFAOYSA-N
SMILES:
O=C1CC2CCC(O1)(C2)C
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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