Free Chemical Databases
-
[Synonyms]
NSC40521
[Structure]
[ Properties Computed from Structure]
Molecular Weight 230.30068 [g/mol] Molecular Formula C12H22O4 XLogP 2 H-Bond Donor 0 H-Bond Acceptor 4 Rotatable Bond Count 7 Exact Mass 230.151809 MonoIsotopic Mass 230.151809 Topological Polar Surface Area 44.8 Heavy Atom Count 16 Formal Charge 0 Complexity 225 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: 4-(2,2-dimethyl-1,3-dioxolan-4-yl)butyl propanoate
Canonical SMILES: CCC(=O)OCCCCC1COC(O1)(C)C
InChI: InChI=1/C12H22O4/c1-4-11(13)14-8-6-5-7-10-9-15-12(2,3)16-10/h10H,4-9H2,
1-3H3
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