CAS
91147-99-8 Purity
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91147-99-8 Purity
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4-(3-Methoxyphenyl)butanenitrile
CAS
91152-85-1
Catalog Number
ACM91152851
Category
Other Products
Molecular Weight
175.22700
Molecular Formula
C11H13NO
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Specification
Synonyms
4-(3-METHOXY-PHENYL)-BUTYRONITRILE;
IUPAC Name
3-(3-methoxyphenyl)-1-butyronitrile
Exact Mass
175.10000
What is the molecular formula of the compound?
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.
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