| CAS Number | 1899946-14-5 |
| Catalog Number | AG00KRBG(AGN-PC-3H455K) |
| Chemical Name | (2E)-3-(1-methyl-1H-pyrazol-5-yl)prop-2-enoic acid |
| IUPAC Name | 3-(2-methylpyrazol-3-yl)prop-2-enoic acid |
| InChI | InChI=1S/C7H8N2O2/c1-9-6(4-5-8-9)2-3-7(10)11/h2-5H,1H3,(H,10,11) |
| InChI Key | FLMCGVRZSZMFDQ-UHFFFAOYSA-N |
| MDL Number | MFCD08559038 |
| Molecular Formula | C7H8N2O2 |
| Molecular Weight | 152.1506 |
| SMILES | CN1C(/C=C/C(O)=O)=CC=N1 |
| Synonyms | 1006959-18-7,
3-(2-Methyl-2H-pyrazol-3-yl)-acrylic acid,
(E)-3-(2-methylpyrazol-3-yl)prop-2-enoic acid,
2-Propenoic acid, 3-(1-methyl-1H-pyrazol-5-yl)-,
CTK6I4067,
CTK6I4076,
MCULE-5235441977,
3-(2-methyl-3-pyrazolyl)-2-propenoic acid,
3-(2-methylpyrazol-3-yl)prop-2-enoic acid,
3-(1-methyl-1H-pyrazol-5-yl)prop-2-enoic acid,
A813406,
Z335451364,
1899946-14-5,
3-(1-Methyl-1H-pyrazol-5-yl)acrylic acid,
(2-Methyl-2H-pyrazol-3-yl)acrylic acid,
3-(1-Methyl-1H-pyrazol-5-yl)acrylicacid,
(2E)-3-(1-methyl-1H-pyrazol-5-yl)acrylic acid,
(2E)-3-(1-methyl-1H-pyrazol-5-yl)prop-2-enoic acid,
1904-31-0,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.153g/mol |
| Monoisotopic Mass | 152.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number