Free Chemical Databases
-
[Synonyms]
NSC44978
59778-10-8
[Structure]
[ Properties Computed from Structure]
Molecular Weight 148.58746 [g/mol] Molecular Formula C6H9ClO2 XLogP 0.5 H-Bond Donor 0 H-Bond Acceptor 2 Rotatable Bond Count 4 Exact Mass 148.029107 MonoIsotopic Mass 148.029107 Topological Polar Surface Area 21.8 Heavy Atom Count 9 Formal Charge 0 Complexity 114 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2-(2-chloroprop-2-enoxymethyl)oxirane
Canonical SMILES: C=C(COCC1CO1)Cl
InChI: InChI=1/C6H9ClO2/c1-5(7)2-8-3-6-4-9-6/h6H,1-4H2
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