Structure

Cromitrile

CAS
53736-51-9
Catalog Number
ACM53736519
Category
Other Products
Molecular Weight
407.384
Molecular Formula
C20H17N5O5

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Specification

Synonyms
Cromitrile, Cromitrilo, Cromitrilum, Cromitrile [INN], Cromitrilum [INN-Latin], Cromitrilo [INN-Spanish], UNII-W6V355N614, C20H15N5O5, CID40857, LS-38727, 1-(4-Cyanophenoxy)-2-hydroxy-3-(2-(5-1H-tetrazolyl)chromon-5-yloxy)propane, 4-(2-Hydroxy-3-((4-oxo-2-(1H-tetrazol-5-yl)-4H-1-benzopyran-5-yl)oxy)propoxy)benzonitrile, Benzonitrile, 4-(2-hydroxy-3-((4-oxo-2-(1H-tetrazol-5-yl)-4H-1-benzopyran-5-yl)oxy)propoxy)-, 53736-51-9
IUPAC Name
4-[2-hydroxy-3-[4-oxo-2-(2H-tetrazol-5-yl)chromen-5-yl]oxypropoxy]benzonitrile
Canonical SMILES
C1C(OC2=C(C1=O)C(=CC=C2)OCC(COC3=CC=C(C=C3)C#N)O)C4=NNN=N4
InChI Key
AQMBNKMVOOFSOJ-UHFFFAOYSA-N
Boiling Point
716.5ºC at 760mmHg
Flash Point
387.1ºC
Density
1.54g/cm³
Exact Mass
405.10700
H-Bond Acceptor
9
H-Bond Donor
2
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