CAS
93841-35-1 Purity
96%
93841-35-1 Purity
96%
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Specification
The molecular formula is C16H22O2.
The molecular weight is 246.34 g/mol.
The IUPAC name is 2,5-dicyclopentylbenzene-1,4-diol.
The Canonical SMILES is C1CCC(C1)C2=CC(=C(C=C2O)C3CCCC3)O.
The InChI is InChI=1S/C16H22O2/c17-15-10-14(12-7-3-4-8-12)16(18)9-13(15)11-5-1-2-6-11/h9-12,17-18H,1-8H2.
The InChIKey is QJIKVNFRJLVHPZ-UHFFFAOYSA-N.
The CAS number is 93841-39-5.
The XLogP3-AA value is 5.2.
There are 2 hydrogen bond donor counts.
Yes, the compound is canonicalized.