| CAS Number | 956436-97-8 |
| Catalog Number | AG00IJAF(AGN-PC-0WBQ56) |
| Chemical Name | 4-methoxy-1-phenyl-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 4-methoxy-1-phenylpyrazole-3-carboxylic acid |
| InChI | InChI=1S/C11H10N2O3/c1-16-9-7-13(12-10(9)11(14)15)8-5-3-2-4-6-8/h2-7H,1H3,(H,14,15) |
| InChI Key | PIHGVXDRIJINMH-UHFFFAOYSA-N |
| MDL Number | MFCD06655665 |
| Molecular Formula | C11H10N2O3 |
| Molecular Weight | 218.2087 |
| SMILES | COC1C(C(O)=O)=NN(C2=CC=CC=C2)C=1 |
| Synonyms | 956436-97-8,
4-methoxy-1-phenyl-1H-pyrazole-3-carboxylic acid,
4-methoxy-1-phenyl-1{H}-pyrazole-3-carboxylic acid,
4-methoxy-1-phenylpyrazole-3-carboxylic acid,
AC1NLQBR,
AC1Q4F55,
SCHEMBL20239610,
CTK7B1840,
DTXSID40407039,
ZINC4206186,
MFCD06655665,
AKOS005208189,
MCULE-7601720675,
AB0168149,
EN300-13108,
L-2516,
AB00733037-01,
Z89265806,
F1967-0258,
CID4962236,
4-methoxy-1-phenyl-pyrazole-3-carboxylic Acid,
|
| Complexity | 254 |
| 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 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number