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160798-42-5 | Ethanone, 1-(2S)-2-oxiranyl-
CAS No: 160798-42-5 Catalog No: AG001VCK MDL No:
Product Description
Catalog Number:
AG001VCK
Chemical Name:
Ethanone, 1-(2S)-2-oxiranyl-
CAS Number:
160798-42-5
Molecular Formula:
C4H6O2
Molecular Weight:
86.0892
IUPAC Name:
1-[(2S)-oxiran-2-yl]ethanone
InChI:
InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h4H,2H2,1H3/t4-/m0/s1
InChI Key:
YBWJKTAELMMCHQ-BYPYZUCNSA-N
SMILES:
CC(=O)[C@@H]1CO1
EC Number:
605-226-9
Properties
Complexity:
77.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
86.037g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
86.09g/mol
Monoisotopic Mass:
86.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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