| CAS Number | 79960-24-0 |
| Catalog Number | AG004Z8F(AGN-PC-0OIBIP) |
| Chemical Name | 2-Propenoic acid, 3-(1-methyl-1H-imidazol-5-yl)-, methyl ester, (E)- |
| IUPAC Name | methyl 3-(3-methylimidazol-4-yl)prop-2-enoate |
| InChI | InChI=1S/C8H10N2O2/c1-10-6-9-5-7(10)3-4-8(11)12-2/h3-6H,1-2H3 |
| InChI Key | FKJVYIOTRBELHH-UHFFFAOYSA-N |
| MDL Number | MFCD24134981 |
| Molecular Formula | C8H10N2O2 |
| Molecular Weight | 166.1772 |
| SMILES | COC(=O)/C=C/c1cncn1C |
| Synonyms | 79960-24-0,
Methyl 3-(1-methyl-1H-imidazol-5-yl)prop-2-enoate,
2-Propenoic acid, 3-(1-methyl-1H-imidazol-5-yl)-, methyl ester, (E)-,
SCHEMBL2219291,
CTK2G3229,
DTXSID90736826,
Z2418194174,
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| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.18g/mol |
| Monoisotopic Mass | 166.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 0.3 |
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Certificate of Analysis
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