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Home > Other Heterocycles > 1342065-35-3
1342065-35-3 | 1-{7-oxabicyclo[2.2.1]heptan-2-yl}ethan-1-one
CAS No: 1342065-35-3 Catalog No: AG01C14T MDL No:MFCD19665967
Product Description
Catalog Number:
AG01C14T
Chemical Name:
1-{7-oxabicyclo[2.2.1]heptan-2-yl}ethan-1-one
CAS Number:
1342065-35-3
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
MDL Number:
MFCD19665967
IUPAC Name:
1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone
InChI:
InChI=1S/C8H12O2/c1-5(9)7-4-6-2-3-8(7)10-6/h6-8H,2-4H2,1H3
InChI Key:
AJENGVZEIVIXKF-UHFFFAOYSA-N
SMILES:
CC(=O)C1CC2OC1CC2
Properties
Complexity:
165
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:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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