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137052-08-5 | Ethanone, 1-(tetrahydro-2H-pyran-4-yl)-
CAS No: 137052-08-5 Catalog No: AG0012RJ MDL No:MFCD08704647
Product Description
Catalog Number:
AG0012RJ
Chemical Name:
Ethanone, 1-(tetrahydro-2H-pyran-4-yl)-
CAS Number:
137052-08-5
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
MDL Number:
MFCD08704647
IUPAC Name:
1-(oxan-4-yl)ethanone
InChI:
InChI=1S/C7H12O2/c1-6(8)7-2-4-9-5-3-7/h7H,2-5H2,1H3
InChI Key:
VNMXIOWPBADSIC-UHFFFAOYSA-N
SMILES:
CC(=O)C1CCOCC1
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.171g/mol
Monoisotopic Mass:
128.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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