| CAS Number | 192661-36-2 |
| Catalog Number | AG00I2VI(AGN-PC-0O6AEL) |
| Chemical Name | (E)-Ethyl 3-(1-methyl-1H-pyrazol-4-yl)acrylate |
| IUPAC Name | ethyl (E)-3-(1-methylpyrazol-4-yl)prop-2-enoate |
| InChI | InChI=1S/C9H12N2O2/c1-3-13-9(12)5-4-8-6-10-11(2)7-8/h4-7H,3H2,1-2H3/b5-4+ |
| InChI Key | CJNCRTPEAMYZER-SNAWJCMRSA-N |
| MDL Number | MFCD23715484 |
| Molecular Formula | C9H12N2O2 |
| Molecular Weight | 180.2038 |
| SMILES | CCOC(=O)/C=C/c1cnn(c1)C |
| Synonyms | (E)-Ethyl 3-(1-methyl-1H-pyrazol-4-yl)acrylate,
192661-36-2,
2-Propenoic acid, 3-(1-methyl-1H-pyrazol-4-yl)-, ethyl ester, (2E)-,
SCHEMBL12694558,
CJNCRTPEAMYZER-SNAWJCMRSA-N,
MFCD23715484,
ZINC82699466,
AKOS023504415,
CS-0046910,
(E)-Ethyl-3-(1-methyl-1H-pyrazol-4-yl)acrylate,
ethyl (E)-3-(1-methyl-1H-pyrazol-4-yl)acrylate,
ethyl (2E)-3-(1-methyl-1H-pyrazol-4-yl)acrylate,
2H-3-Benzazepin-2-one, 1-amino-1,3,4,5-tetrahydro-3-methyl-, (1S)-,
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| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 180.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.207g/mol |
| Monoisotopic Mass | 180.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
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