| CAS Number | 1158094-31-5 |
| Catalog Number | AG01BCZV |
| Chemical Name | (2E)-3-[2-(1H-pyrazol-1-yl)phenyl]prop-2-enoic acid |
| IUPAC Name | 3-(2-pyrazol-1-ylphenyl)prop-2-enoic acid |
| InChI | InChI=1S/C12H10N2O2/c15-12(16)7-6-10-4-1-2-5-11(10)14-9-3-8-13-14/h1-9H,(H,15,16) |
| InChI Key | JGBSTCIQXRSQLQ-UHFFFAOYSA-N |
| MDL Number | MFCD11200643 |
| Molecular Formula | C12H10N2O2 |
| Molecular Weight | 214.2200 |
| SMILES | OC(/C=C/C1=C(N2N=CC=C2)C=CC=C1)=O |
| Synonyms | 3-[2-(1H-pyrazol-1-yl)phenyl]prop-2-enoic acid,
1158094-31-5,
AKOS030755692,
MCULE-6571225742,
Z1823400132,
|
| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.224g/mol |
| Monoisotopic Mass | 214.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number