| CAS Number | 1022575-47-8 |
| Catalog Number | AG01AQ8D(AGN-PC-0WCNFP) |
| Chemical Name | 3-(3-METHOXYPHENYL)-1-METHYL-1(H)-PYRAZOLE-5-CARBOXYLIC ACID |
| IUPAC Name | 5-(3-methoxyphenyl)-2-methylpyrazole-3-carboxylic acid |
| InChI | InChI=1S/C12H12N2O3/c1-14-11(12(15)16)7-10(13-14)8-4-3-5-9(6-8)17-2/h3-7H,1-2H3,(H,15,16) |
| InChI Key | LGZBFNBUPOZSQN-UHFFFAOYSA-N |
| MDL Number | MFCD16547404 |
| Molecular Formula | C12H12N2O3 |
| Molecular Weight | 232.2353 |
| SMILES | O=C(C1=CC(C2=CC=CC(OC)=C2)=NN1C)O |
| Synonyms | 1022575-47-8,
3-(3-methoxyphenyl)-1-methyl-1{H}-pyrazole-5-carboxylic acid,
5-(3-methoxyphenyl)-2-methylpyrazole-3-carboxylic acid,
3-(3-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxylic acid,
AC1LG0ME,
SCHEMBL8842839,
ZINC324164,
AKOS005207356,
MCULE-3580186480,
L-3355,
F1967-0104,
CID812170,
5-(3-methoxyphenyl)-2-methyl-pyrazole-3-carboxylic Acid,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.239g/mol |
| Monoisotopic Mass | 232.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number