CAS
93840-86-9 Purity
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93840-86-9 Purity
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Specification
The molecular formula is C14H22O2.
The molecular weight is 222.32 g/mol.
The IUPAC name is 5-[2-(4-methylcyclohex-3-en-1-yl)propyl]oxolan-2-one.
The Canonical SMILES is CC1=CCC(CC1)C(C)CC2CCC(=O)O2.
The InChIKey is QHJBCNKYSABBGA-UHFFFAOYSA-N.
It has 0 Hydrogen Bond Donor Count.
The XLogP3-AA value is 3.3.
The Heavy Atom Count is 16.
It has 0 Defined Atom Stereocenter Count.
Yes, it is canonicalized.
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