CAS
937796-04-8 Purity
96%
937796-04-8 Purity
96%
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Specification
The molecular formula is C9H11N3O.
The molecular weight is 177.20 g/mol.
The IUPAC name is 2-pyrrolidin-1-ylpyrimidine-5-carbaldehyde.
The Canonical SMILES is C1CCN(C1)C2=NC=C(C=N2)C=O.
The InChIKey is KJMKROLYLRRJDN-UHFFFAOYSA-N.
The CAS number is 937796-10-6.
It has 0 hydrogen bond donor counts.
It has 4 hydrogen bond acceptor counts.
It has 2 rotatable bond counts.
Yes, it is a canonicalized compound.