| CAS Number | 689250-54-2 |
| Catalog Number | AG00IBVU(AGN-PC-0WG40E) |
| Chemical Name | 5-(4-Methoxyphenyl)-1-methyl-1H-pyrazole-4-carboxaldehyde |
| IUPAC Name | 5-(4-methoxyphenyl)-1-methylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C12H12N2O2/c1-14-12(10(8-15)7-13-14)9-3-5-11(16-2)6-4-9/h3-8H,1-2H3 |
| InChI Key | RUCBGNQGHSXXGE-UHFFFAOYSA-N |
| MDL Number | MFCD11983444 |
| Molecular Formula | C12H12N2O2 |
| Molecular Weight | 216.2359 |
| SMILES | Cn1c(c(cn1)C=O)c2ccc(cc2)OC |
| Synonyms | 5-(4-methoxyphenyl)-1-methyl-1H-pyrazole-4-carbaldehyde,
689250-54-2,
5-(4-methoxyphenyl)-1-methylpyrazole-4-carbaldehyde,
RUCBGNQGHSXXGE-UHFFFAOYSA-N,
SCHEMBL4831072,
SBB051480,
STK695717,
ZINC34929364,
AKOS000446987,
MCULE-1223348258,
AS-69961,
DB-107121,
ST4148474,
CS-0035528,
A1-22799,
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| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.089878g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.24g/mol |
| Monoisotopic Mass | 216.089878g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number