Cromitrile

4-[2-hydroxy-3-[4-oxo-2-(2H-tetrazol-5-yl)chromen-5-yl]oxypropoxy]benzonitrile

CAS: 53736-51-9

Molecular Formula	`C20H15N5O5`
Molecular Weight	405.4 g/mol
LogP	1.5
Topological Polar Surface Area	143.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	7
Exact Mass	405.10733
Heavy Atoms	30
Complexity	686.0

Chemical Identifiers

CAS Number	53736-51-9
SMILES	`C1=CC2=C(C(=C1)OCC(COC3=CC=C(C=C3)C#N)O)C(=O)C=C(O2)C4=NNN=N4`
InChIKey	`AQMBNKMVOOFSOJ-UHFFFAOYSA-N`

📖 Product Overview

Cromitrile (CAS: 53736-51-9) is a chemical compound with molecular formula C20H15N5O5 and molecular weight 405.4 g/mol. Its IUPAC systematic name is 4-[2-hydroxy-3-[4-oxo-2-(2H-tetrazol-5-yl)chromen-5-yl]oxypropoxy]benzonitrile. LogP 1.5 Topological Polar Surface Area 143.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 9 Rotatable Bonds 7 Exact Mass 405.10733 Heavy Atoms 30 Complexity 686.0 InChI Key: AQMBNKMVOOFSOJ-UHFFFAOYSA-N. SMILES: C1=CC2=C(C(=C1)OCC(COC3=CC=C(C=C3)C#N)O)C(=O)C=C(O2)C4=NNN=N4.

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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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