| CAS Number | 13168-99-5 |
| Catalog Number | AG000ZL3(AGN-PC-0O10NM) |
| Chemical Name | 2-Butenoic acid, 4-methoxy-, methyl ester, (2E)- |
| IUPAC Name | methyl 4-methoxybut-2-enoate |
| InChI | InChI=1S/C6H10O3/c1-8-5-3-4-6(7)9-2/h3-4H,5H2,1-2H3 |
| InChI Key | JMXSTMJTPSFRNI-UHFFFAOYSA-N |
| MDL Number | MFCD03789600 |
| Molecular Formula | C6H10O3 |
| Molecular Weight | 130.1418 |
| SMILES | COC/C=C/C(=O)OC |
| Synonyms | methyl (2E)-4-methoxybut-2-enoate,
2-Butenoic acid, 4-methoxy-, methyl ester,
CTK0F5314,
CTK1G8874,
13168-99-5,
2-Butenoic acid, 4-methoxy-, methyl ester, (E)-,
4-methoxybut-2-enoic acid methyl ester,
59424-95-2,
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| Complexity | 107 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 130.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 130.143g/mol |
| Monoisotopic Mass | 130.063g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number