The molecular formula of the compound is C11H13NO.
What are the synonyms of the compound?
The synonyms of the compound are 4-(3-Methoxyphenyl)butanenitrile, 91152-85-1, 4-(3-Methoxyphenyl)propylcyanide, SCHEMBL8928219, and 4-(3-Methoxyphenyl)butyronitrile.
What is the molecular weight of the compound?
The molecular weight of the compound is 175.23 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 4-(3-methoxyphenyl)butanenitrile.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C11H13NO/c1-13-11-7-4-6-10(9-11)5-2-3-8-12/h4,6-7,9H,2-3,5H2,1H3.
What is the InChIKey of the compound?
The InChIKey of the compound is SYCHWZNYFTYNEC-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is COC1=CC=CC(=C1)CCCC#N.
What is the XLogP3 value of the compound?
The XLogP3 value of the compound is 2.6.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
How many rotatable bond counts does the compound have?
The compound has 4 rotatable bond counts.
※ Please kindly note that our products are for research use only.