Home Nitros 4-methyl-5-nitrocatechol

4-methyl-5-nitrocatechol

CAS No.:
68906-21-8
Catalog Number:
AG005N7S
Molecular Formula:
C7H7NO4
Molecular Weight:
169.1348
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Product Description
Catalog Number:
AG005N7S
Chemical Name:
4-methyl-5-nitrocatechol
CAS Number:
68906-21-8
Molecular Formula:
C7H7NO4
Molecular Weight:
169.1348
MDL Number:
MFCD04039616
IUPAC Name:
4-methyl-5-nitrobenzene-1,2-diol
InChI:
InChI=1S/C7H7NO4/c1-4-2-6(9)7(10)3-5(4)8(11)12/h2-3,9-10H,1H3
InChI Key:
WLLRAKCRHPMKNA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(O)c(cc1C)O
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.038g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
169.136g/mol
Monoisotopic Mass:
169.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Methyl-nitrocatechols: atmospheric tracer compounds for biomass burning secondary organic aerosols. Environmental science & technology 20101115
Enzymatic biosensor for the electrochemical detection of 2,4-dinitrotoluene biodegradation derivatives. Talanta 20060227
TNT and nitroaromatic compounds are chemoattractants for Burkholderia cepacia R34 and Burkholderia sp. strain DNT. Applied microbiology and biotechnology 20051201
Saturation mutagenesis of 2,4-DNT dioxygenase of Burkholderia sp. strain DNT for enhanced dinitrotoluene degradation. Biotechnology and bioengineering 20051120
Microbial consortia that degrade 2,4-DNT by interspecies metabolism: isolation and characterisation. Biodegradation 20030101
Origins of the 2,4-dinitrotoluene pathway. Journal of bacteriology 20020801
Nitrocatechols versus nitrocatecholamines as novel competitive inhibitors of neuronal nitric oxide synthase: lack of the aminoethyl side chain determines loss of tetrahydrobiopterin-antagonizing properties. Bioorganic & medicinal chemistry letters 20020107
Oxidative conversion of 6-nitrocatecholamines to nitrosating products: a possible contributory factor in nitric oxide and catecholamine neurotoxicity associated with oxidative stress and acidosis. Chemical research in toxicology 20010901
Properties