| CAS Number | 6715-91-9 |
| Catalog Number | AG00JDLC(AGN-PC-0WC700) |
| Chemical Name | 3-(4-Iodo-1H-pyrazol-1-yl)propanoic acid |
| IUPAC Name | 3-(4-iodopyrazol-1-yl)propanoic acid |
| InChI | InChI=1S/C6H7IN2O2/c7-5-3-8-9(4-5)2-1-6(10)11/h3-4H,1-2H2,(H,10,11) |
| InChI Key | MIJGHVPPRUSELK-UHFFFAOYSA-N |
| MDL Number | MFCD15146427 |
| Molecular Formula | C6H7IN2O2 |
| Molecular Weight | 266.0365 |
| SMILES | OC(CCN1N=CC(I)=C1)=O |
| Synonyms | 3-(4-Iodo-1H-pyrazol-1-yl)propanoic acid,
6715-91-9,
3-(4-iodopyrazol-1-yl)propanoic acid,
ALBB-013403,
MFCD15146427,
ZINC47218726,
AKOS005174085,
1H-pyrazole-1-propanoic acid, 4-iodo-,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.955g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.038g/mol |
| Monoisotopic Mass | 265.955g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number