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Home> Encyclopedia > Hot Product Listed 1   > 1H-Imidazole-5-carboxylicacid, 2-(1,1-dimethylethyl)-
794495-32-2 structure

1H-Imidazole-5-carboxylicacid, 2-(1,1-dimethylethyl)-

Iupac Name:2-tert-butyl-1H-imidazole-5-carboxylic acid
CAS No.:794495-32-2
Molecular Weight:168.196
Molecular Formula:C8H12N2O2 (isomer)
Names and Identifiers
Synonyms

1h-imidazole-4-carboxylic acid, 2-(1,1-dimethylethyl)- 1h-imidazole-4-carboxylic acid,2-(1,1-dimethylethyl)- 1H-Imidazole-4-carboxylicacid, 2-(1,1-dimethylethyl)- (9CI) 1h-imidazole-5-carboxylic acid, 2-(1,1-dimethylethyl)- 2-(tert-butyl)-1h-imidazole-5-carboxylic acid 2-tert-butyl-1h-imidazole-4-carboxylic acid 2-tert-butyl-1h-imidazole-5-carboxylic acid 2-tert-butyl-3h-imidazole-4-carboxylic acid AK462362 AKOS022712145 DTXSID10388407 HE095445 SCHEMBL14953288

Inchi
InChI=1S/C8H12N2O2/c1-8(2,3)7-9-4-5(10-7)6(11)12/h4H,1-3H3,(H,9,10)(H,11,12)
InChkey
MUODHXYBEMXMRB-UHFFFAOYSA-N
Canonical Smiles
CC(C)(C)C1=NC=C(N1)C(=O)O
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:168.196g/mol
  • Molecular Formula:C8H12N2O2
  • Compound Is Canonicalized:True
  • Exact Mass:168.09
  • Monoisotopic Mass:168.09
  • Complexity:186
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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