Name: Name:2H-1-Benzopyran-3-carbonitrile, 4-methyl-2-oxo-
Brand: Angene
SKU: AG002OFD
Rating: 90 (10 reviews)

2H-1-Benzopyran-3-carbonitrile, 4-methyl-2-oxo-

CAS No.:

24526-69-0

Catalog Number:

AG002OFD

Molecular Formula:

C11H7NO2

Molecular Weight:

185.1788

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Product Description

Catalog Number:

AG002OFD

Chemical Name:

2H-1-Benzopyran-3-carbonitrile, 4-methyl-2-oxo-

CAS Number:

24526-69-0

Molecular Formula:

C11H7NO2

Molecular Weight:

185.1788

MDL Number:

MFCD28396682

IUPAC Name:

4-methyl-2-oxochromene-3-carbonitrile

InChI:

InChI=1S/C11H7NO2/c1-7-8-4-2-3-5-10(8)14-11(13)9(7)6-12/h2-5H,1H3

InChI Key:

FFBLBFMTKGSSPY-UHFFFAOYSA-N

SMILES:

N#Cc1c(=O)oc2c(c1C)cccc2

Properties

Complexity:

348

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

185.048g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

185.182g/mol

Monoisotopic Mass:

185.048g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

50.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title	Journal
FT-IR, FT-Raman and UV-Vis spectra and DFT calculations of 3-cyano-4-methylcoumarin.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20121101
Synthesis and biological evaluation of 4-styrylcoumarin derivatives as inhibitors of TNF-α and IL-6 with anti-tubercular activity.	Bioorganic & medicinal chemistry letters 20110415

Properties