CAS
91245-72-6 Purity
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91245-72-6 Purity
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Specification
The molecular formula is C11H15NO.
The molecular weight is 177.24 g/mol.
The IUPAC name is 3-(4-methoxyphenyl)pyrrolidine.
The InChI is InChI=1S/C11H15NO/c1-13-11-4-2-9(3-5-11)10-6-7-12-8-10/h2-5,10,12H,6-8H2,1H3.
The InChIKey is UPSZBLIRYUFEOF-UHFFFAOYSA-N.
The Canonical SMILES is COC1=CC=C(C=C1)C2CCNC2.
The CAS number is 91246-26-3.
There is 1 hydrogen bond donor count.
The topological polar surface area is 21.3 A^2.
Yes, it is canonicalized.