| CAS Number | 952959-44-3 |
| Catalog Number | AG00IIY8(AGN-PC-0WOL1S) |
| Chemical Name | 1-(2-methoxyphenyl)-1H-imidazole-4-carboxylic acid |
| IUPAC Name | 1-(2-methoxyphenyl)imidazole-4-carboxylic acid |
| InChI | InChI=1S/C11H10N2O3/c1-16-10-5-3-2-4-9(10)13-6-8(11(14)15)12-7-13/h2-7H,1H3,(H,14,15) |
| InChI Key | CSTVJCHUHHLAMZ-UHFFFAOYSA-N |
| MDL Number | MFCD08752954 |
| Molecular Formula | C11H10N2O3 |
| Molecular Weight | 218.2087 |
| SMILES | COC1=C(N2C=C(C(O)=O)N=C2)C=CC=C1 |
| Synonyms | 1-(2-methoxyphenyl)-1H-imidazole-4-carboxylic acid,
952959-44-3,
ZX-BK002640,
BBL021837,
KM4306,
MFCD08752954,
STK894554,
ZINC12404853,
AKOS005144156,
KS-8130,
MCULE-9995003166,
IM4-0009,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.212g/mol |
| Monoisotopic Mass | 218.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number