CAS
93840-05-2 Purity
96%
93840-05-2 Purity
96%
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Specification
Molecular formula: C14H22O2
Molecular weight: 222.32 g/mol
IUPAC name: methyl 5,5-dimethyl-2,3,4,4a,6,7-hexahydro-1H-naphthalene-2-carboxylate
Canonical SMILES: CC1(CCC=C2C1CCC(C2)C(=O)OC)
InChIKey: BBLPOKYPRGVQJI-UHFFFAOYSA-N
CAS number: 93840-16-5
Hydrogen bond acceptor count: 2
Topological polar surface area: 26.3 Ų
Yes, Methyl octahydro-5,5-dimethyl-2-naphthoate is canonicalized.
Complexity value: 315