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Home > Encyclopedia > 4-Methyl-5-nitrocatechol

4-Methyl-5-nitrocatechol

4-Methyl-5-nitrocatechol structure

4-Methyl-5-nitrocatechol 

structure
  • CAS No:

    68906-21-8

  • Formula:

    C7H7NO4

  • Chemical Name:

    4-Methyl-5-nitrocatechol

  • Synonyms:

    1,2-Benzenediol,4-methyl-5-nitro-;4-Homopyrocatechol,5-nitro-;4-Methyl-5-nitro-1,2-benzenediol;4-Methyl-5-nitropyrocatechol;4-Methyl-5-nitrocatechol

Description

4-methyl-5-nitrocatechol is a nitrotoluene that is 2-nitrotoluene carrying two hydroxy substituents at positions 4 and 5. It has a role as a bacterial xenobiotic metabolite. It is a member of catechols and a nitrotoluene.

4-Methyl-5-nitrocatechol Basic Attributes

169.13500

169.13

DTXSID20218983

Characteristics

86.28000

1.83760

1.478g/cm3

180-182ºC

354.5ºC

163.1ºC

1.643

Drug Information

4-methyl-5-nitrocatechol

Computed Properties

Molecular Weight:169.13
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Exact Mass:169.03750770
Monoisotopic Mass:169.03750770
Topological Polar Surface Area:86.3
Heavy Atom Count:12
Complexity:179
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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