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Home > Other Heterocycles > 15121-01-4
15121-01-4 | Ethanone, 1-(7-oxabicyclo[4.1.0]hept-1-yl)-
CAS No: 15121-01-4 Catalog No: AG001N69 MDL No:
Product Description
Catalog Number:
AG001N69
Chemical Name:
Ethanone, 1-(7-oxabicyclo[4.1.0]hept-1-yl)-
CAS Number:
15121-01-4
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
1-(7-oxabicyclo[4.1.0]heptan-1-yl)ethanone
InChI:
InChI=1S/C8H12O2/c1-6(9)8-5-3-2-4-7(8)10-8/h7H,2-5H2,1H3
InChI Key:
IYVLEWWTLSXNMH-UHFFFAOYSA-N
SMILES:
CC(=O)C12CCCCC2O1
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:
1
Topological Polar Surface Area:
29.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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