CAS
958451-83-7 Purity
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958451-83-7 Purity
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Specification
The molecular formula is C8H16ClNOS.
The molecular weight is 209.74 g/mol.
The IUPAC name is 1-oxa-5-thia-8-azaspiro[5.5]undecane;hydrochloride.
The InChI is InChI=1S/C8H15NOS.ClH/c1-3-8(7-9-4-1)10-5-2-6-11-8;/h9H,1-7H2;1H.
The InChIKey is KQPAKJQWDRFENB-UHFFFAOYSA-N.
The Canonical SMILES is C1CC2(CNC1)OCCCS2.Cl.
The hydrogen bond donor count is 2.
The hydrogen bond acceptor count is 3.
The rotatable bond count is 0.
Yes, it is a canonicalized compound.