CAS 34087-02-0 | 4-Nitro-1H,3H-naphtho[1,8-cd]pyran-1,3-dione | CAS Number 34087-02-0

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34087-02-0 | 4-Nitro-1H,3H-naphtho[1,8-cd]pyran-1,3-dione

CAS No: 34087-02-0 Catalog No: AG0039W4 MDL No:MFCD00013446

Product Description

Catalog Number:

AG0039W4

Chemical Name:

4-Nitro-1H,3H-naphtho[1,8-cd]pyran-1,3-dione

CAS Number:

34087-02-0

Molecular Formula:

C12H5NO5

Molecular Weight:

243.1718

MDL Number:

MFCD00013446

IUPAC Name:

8-nitro-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione

InChI:

InChI=1S/C12H5NO5/c14-11-7-3-1-2-6-9(13(16)17)5-4-8(10(6)7)12(15)18-11/h1-5H

InChI Key:

LKOZHLXUWUBRDK-UHFFFAOYSA-N

SMILES:

O=C1OC(=O)c2c3c1c(ccc3ccc2)[N+](=O)[O-]

EC Number:

229-659-4

NSC Number:

15356

Properties

Complexity:

415

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

243.017g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

243.174g/mol

Monoisotopic Mass:

243.017g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

89.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
A colorimetric and fluorescent dual probe for specific detection of cysteine based on intramolecular nucleophilic aromatic substitution.	The Analyst 20121107
Biotransformation of nitro-polycyclic aromatic compounds by vegetable and fruit cell extracts.	Journal of Zhejiang University. Science. B 20120401
Assessment of 4-nitro-1,8-naphthalic anhydride reductase activity in homogenates of bakers' yeast by reversed-phase high-performance liquid chromatography.	Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20070301