CAS
98968-77-5 Purity
96%
98968-77-5 Purity
96%
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The molecular formula is C10H13ClO.
It was created on 2005-08-09.
The IUPAC name is (1R,6R,7S)-3,6-dimethylbicyclo[4.1.0]hept-2-ene-7-carbonyl chloride.
The Canonical SMILES is CC1=CC2C(C2(CC1)C)C(=O)Cl.
It has 1 hydrogen bond acceptor count.
The exact mass is 184.0654927 g/mol.
Yes, the compound is canonicalized.
The XLogP3-AA value is 2.6.
It has 3 defined atom stereocenter counts.
The topological polar surface area is 17.1 Ų.