What is the molecular formula of the compound with PubChem CID 68450161?
The molecular formula is C11H12ClNO3.
What are the synonyms of the compound with PubChem CID 68450161?
The synonyms are 925233-24-5, 1-(2-Chloro-3-hydroxyphenyl)pyrrolidine-3-carboxylic acid, 3-Pyrrolidinemethanol,1-(2-chloro-3-hydroxyphenyl)-, SCHEMBL2939905, and DTXSID50738366.
What is the molecular weight of the compound?
The molecular weight is 241.67 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 1-(2-chloro-3-hydroxyphenyl)pyrrolidine-3-carboxylic acid.
What is the InChI of the compound?
The InChI is InChI=1S/C11H12ClNO3/c12-10-8(2-1-3-9(10)14)13-5-4-7(6-13)11(15)16/h1-3,7,14H,4-6H2,(H,15,16).
What is the InChIKey of the compound?
The InChIKey is KYOZXWAIGCLKSO-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is C1CN(CC1C(=O)O)C2=C(C(=CC=C2)O)Cl.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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