91093-42-4 Purity
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Specification
The molecular formula of Cicloprolol is C18H29NO4.
The molecular weight of Cicloprolol is 323.4 g/mol.
The IUPAC name of Cicloprolol is 1-[4-[2-(cyclopropylmethoxy)ethoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol.
The InChI of Cicloprolol is InChI=1S/C18H29NO4/c1-14(2)19-11-16(20)13-23-18-7-5-17(6-8-18)22-10-9-21-12-15-3-4-15/h5-8,14-16,19-20H,3-4,9-13H2,1-2H3.
The InChIKey of Cicloprolol is JNDJPKHYZWRRIS-UHFFFAOYSA-N.
The canonical SMILES of Cicloprolol is CC(C)NCC(COC1=CC=C(C=C1)OCCOCC2CC2)O.
The CAS number of Cicloprolol is 94651-09-9.
Cicloprolol has 2 hydrogen bond donor counts.
The topological polar surface area of Cicloprolol is 60?2.
Cicloprolol has 12 rotatable bond counts.
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