Name: Name:ethyl 4-hydroxy-8-nitroquinoline-3-carboxylate
Brand: Angene
SKU: AG01DI32
Rating: 90 (10 reviews)

ethyl 4-hydroxy-8-nitroquinoline-3-carboxylate

CAS No.:

109799-69-1

Catalog Number:

AG01DI32

Molecular Formula:

C12H10N2O5

Molecular Weight:

262.2182

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Product Description

Catalog Number:

AG01DI32

Chemical Name:

ethyl 4-hydroxy-8-nitroquinoline-3-carboxylate

CAS Number:

109799-69-1

Molecular Formula:

C12H10N2O5

Molecular Weight:

262.2182

MDL Number:

MFCD00968676

IUPAC Name:

ethyl 8-nitro-4-oxo-1H-quinoline-3-carboxylate

InChI:

InChI=1S/C12H10N2O5/c1-2-19-12(16)8-6-13-10-7(11(8)15)4-3-5-9(10)14(17)18/h3-6H,2H2,1H3,(H,13,15)

InChI Key:

ZTAWASGMGQOLHO-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1cccc2c1ncc(c2O)C(=O)OCC

Properties

Complexity:

440

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

262.059g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

262.221g/mol

Monoisotopic Mass:

262.059g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

101A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title	Journal
Photochemical and phototoxic properties of ethyl 1,4-dihydro-8-nitro-4-oxoquinoline-3-carboxylate, a new quinoline derivative.	Journal of photochemistry and photobiology. B, Biology 20110110

Properties