Home Other Heterocycles 4350-84-9
4350-84-9,MFCD24505738
Catalog No.:AA003HR3
4350-84-9 | 2-Oxabicyclo[2.2.2]octan-3-one
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250mg
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Technical Information
Catalog Number:
AA003HR3
Chemical Name:
2-Oxabicyclo[2.2.2]octan-3-one
CAS Number:
4350-84-9
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
MDL Number:
MFCD24505738
IUPAC Name:
2-oxabicyclo[2.2.2]octan-3-one
InChI:
InChI=1S/C7H10O2/c8-7-5-1-3-6(9-7)4-2-5/h5-6H,1-4H2
InChI Key:
NVORRKXXHHFWDH-UHFFFAOYSA-N
SMILES:
O=C1OC2CCC1CC2
Properties
Computed Properties
 
Complexity:
134  
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:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Synonyms
 
2-Oxabicyclo[2.2.2]octan-3-one 
4350-84-9 
NVORRKXXHHFWDH-UHFFFAOYSA-N 
3-oxabicyclo[2.2.2]octan-2-one 
ZINC5133507 
2-Oxabicyclo[2,2,2]octan-3-one 
MFCD06797111 
KS-0000122X 
DA-16877 
TC-170355 
FT-0708578 
cis-4-Hydroxycyclohexanecarboxylic acid lactone 
2-Oxabicyclo(2.2.2)octan-3-one 
4-Hydroxy-1-cyclohexanecarboxylicAciddelta-Lactone 
I14-85741 
CID138195 
H1143 
4-Hydroxy-1-cyclohexanecarboxylic Acid delta-Lactone 
ACMC-20anoc 
AC1L3CA7 
SCHEMBL110922 
CTK4I7380 
3,6-Ethanotetrahydropyran-2-one 
DTXSID60195865 
Literature
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