4-(2-Hydroxypropan-2-yl)benzonitrile structure

4-(2-Hydroxypropan-2-yl)benzonitrile

4-(2-hydroxypropan-2-yl)benzonitrile

Also Known As: 4-(2-hydroxypropan-2-yl)benzonitrile|2-(4-Cyanophenyl)-2-propanol|4-(1-Hydroxy-1-methylethyl)benzonitrile|Benzonitrile, 4-(1-hydroxy-1-methylethyl)-|HS-6199|4-(1-hydroxy-1-methyl-ethyl)-benzonitrile|4-(1-hydroxy-1-methyl-ethyl)benzonitrile|4-(1-Hydroxy-1-methylethyl)benzonitrile #|4-(2-hydroxypropan-2-yl)benzenecarbonitrile|842-985-7

CAS: 77802-22-3
Molecular Formula C10H11NO
Molecular Weight 161.08406 g/mol
LogP 1.3
Topological Polar Surface Area 44.0 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
Rotatable Bonds 1
Exact Mass 161.08406
Monoisotopic Mass 161.08406
Heavy Atoms 12
Complexity 193.0

Chemical Identifiers

CAS Number 77802-22-3
SMILES CC(C)(C1=CC=C(C=C1)C#N)O
InChIKey FJDCEKDPEOIGEJ-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.

Heterocyclic Building Blocks (57 patents) Pharmaceutical Intermediates (31 patents)

Product Overview

4-(2-Hydroxypropan-2-yl)benzonitrile (CAS 77802-22-3), with molecular formula C10H11NO and molecular weight 161.08406 g/mol. IUPAC: 4-(2-hydroxypropan-2-yl)benzonitrile.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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