| CAS Number | 714273-88-8 |
| Catalog Number | AG006898(AGN-PC-03JQB7) |
| Chemical Name | 1H-Imidazole-5-carboxylicacid, 4-(1,1-dimethylethyl)- |
| IUPAC Name | 5-tert-butyl-1H-imidazole-4-carboxylic acid |
| InChI | InChI=1S/C8H12N2O2/c1-8(2,3)6-5(7(11)12)9-4-10-6/h4H,1-3H3,(H,9,10)(H,11,12) |
| InChI Key | CHZBPWFTYFOPMN-UHFFFAOYSA-N |
| MDL Number | MFCD18808688 |
| Molecular Formula | C8H12N2O2 |
| Molecular Weight | 168.1931 |
| SMILES | CC(C)(C)C=1N=CNC1C(=O)O |
| Synonyms | 714273-88-8,
5-tert-butyl-1H-imidazole-4-carboxylic acid,
4-(tert-Butyl)-1H-imidazole-5-carboxylic acid,
1H-Imidazole-5-carboxylicacid, 4-(1,1-dimethylethyl)-,
SCHEMBL66608,
SCHEMBL20081637,
CTK2H6471,
DTXSID00622084,
KS-000023TT,
MFCD18808688,
ZINC39058662,
AKOS016028492,
AKOS023253148,
CH-0711,
4-tert-butyl-1H-imidazole-5-carboxylic acid,
1H-Imidazole-4-carboxylic acid, 5-(1,1-dimethylethyl)- (9CI),
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| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.196g/mol |
| Monoisotopic Mass | 168.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number