CAS
905-30-6 Purity
96%
905-30-6 Purity
96%
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The molecular formula is C8H11ClO3.
The molecular weight is 190.62 g/mol.
The IUPAC name is ethyl 2-carbonochloridoylcyclobutane-1-carboxylate.
The InChI is InChI=1S/C8H11ClO3/c1-2-12-8(11)6-4-3-5(6)7(9)10/h5-6H,2-4H2,1H3.
The InChIKey is CDYCAPOOETXJGE-UHFFFAOYSA-N.
The Canonical SMILES is CCOC(=O)C1CCC1C(=O)Cl.
The compound has 0 hydrogen bond donor counts.
The compound has 3 hydrogen bond acceptor counts.
The topological polar surface area is 43.4 2.
Yes, the compound is canonicalized.