915919-94-7 Purity
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Specification
The molecular formula of CHEMBRDG-BB 4012111 is C9H15N3O2.
The molecular weight of CHEMBRDG-BB 4012111 is 197.23 g/mol.
The IUPAC name of CHEMBRDG-BB 4012111 is 3-(2-methoxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole.
The InChI of CHEMBRDG-BB 4012111 is InChI=1S/C9H15N3O2/c1-13-6-4-8-11-9(14-12-8)7-3-2-5-10-7/h7,10H,2-6H2,1H3.
The InChIKey of CHEMBRDG-BB 4012111 is AIOJUNMIGBTXBF-UHFFFAOYSA-N.
The canonical SMILES of CHEMBRDG-BB 4012111 is COCCC1=NOC(=N1)C2CCCN2.
The CAS number of CHEMBRDG-BB 4012111 is 915920-00-2.
The hydrogen bond donor count of CHEMBRDG-BB 4012111 is 1.
The hydrogen bond acceptor count of CHEMBRDG-BB 4012111 is 5.
Yes, CHEMBRDG-BB 4012111 is a canonicalized compound according to PubChem.