| CAS Number | 956986-43-9 |
| Catalog Number | AG00IJCU(AGN-PC-0WQYEW) |
| Chemical Name | 3-[1-(3-methoxyphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]propanoic acid |
| IUPAC Name | 3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid |
| InChI | InChI=1S/C15H18N2O3/c1-10-14(7-8-15(18)19)11(2)17(16-10)12-5-4-6-13(9-12)20-3/h4-6,9H,7-8H2,1-3H3,(H,18,19) |
| InChI Key | VSFBVPTZYHYJAC-UHFFFAOYSA-N |
| MDL Number | MFCD07323650 |
| Molecular Formula | C15H18N2O3 |
| Molecular Weight | 274.3150 |
| SMILES | COC1=CC(N2C(C)=C(CCC(O)=O)C(C)=N2)=CC=C1 |
| Synonyms | 3-[1-(3-methoxyphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]propanoic acid,
956986-43-9,
AC1NLR2V,
AC1Q480R,
CTK7A9635,
ZINC4207180,
MFCD07323650,
AKOS000118353,
MCULE-5016433884,
NE60977,
EN300-13938,
SR-01000072426,
SR-01000072426-1,
Z94599220,
3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid,
CID4962742,
3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoic Acid,
|
| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.32g/mol |
| Monoisotopic Mass | 274.132g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number