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Home > Encyclopedia > 3-Isoxazolecarboxylic acid, 5-methyl-4-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-

3-Isoxazolecarboxylic acid, 5-methyl-4-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-

3-Isoxazolecarboxylic acid, 5-methyl-4-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]- structure

3-Isoxazolecarboxylic acid, 5-methyl-4-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]- 

structure
  • CAS No:

    934156-86-2

  • Formula:

    C8H7N5O5

  • Chemical Name:

    3-Isoxazolecarboxylic acid, 5-methyl-4-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-

  • Synonyms:

    5-methyl-4-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]isoxazole-3-carboxylic acid;

3-Isoxazolecarboxylic acid, 5-methyl-4-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]- Basic Attributes

253.17200

253.04471834

2934999090

Characteristics

139.86000

0.75240

1.87±0.1 g/cm3 (20 °C, 760 mmHg)

620.0±65.0 °C (760 mmHg)

Computed Properties

Molecular Weight:253.17
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:253.04471834
Monoisotopic Mass:253.04471834
Topological Polar Surface Area:140
Heavy Atom Count:18
Complexity:347
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 3-Isoxazolecarboxylic acid, 5-methyl-4-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-

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