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130722-42-8 | 3-Oxepanone
CAS No: 130722-42-8 Catalog No: AG000UUR MDL No:MFCD24445027
Product Description
Catalog Number:
AG000UUR
Chemical Name:
3-Oxepanone
CAS Number:
130722-42-8
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
MDL Number:
MFCD24445027
IUPAC Name:
oxepan-3-one
InChI:
InChI=1S/C6H10O2/c7-6-3-1-2-4-8-5-6/h1-5H2
InChI Key:
YUIJSWMGTIISBE-UHFFFAOYSA-N
SMILES:
O=C1CCCCOC1
Properties
Complexity:
88.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.068g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
114.144g/mol
Monoisotopic Mass:
114.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Synthesis of marine polycyclic polyethers via endo-selective epoxide-opening cascades. | Marine drugs 20100101 |
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