| CAS Number | 19866-50-3 |
| Catalog Number | AG002BOU(AGN-PC-0O6UDP) |
| Chemical Name | (2E)-3-methylpent-2-enoic acid |
| IUPAC Name | (E)-3-methylpent-2-enoic acid |
| InChI | InChI=1S/C6H10O2/c1-3-5(2)4-6(7)8/h4H,3H2,1-2H3,(H,7,8)/b5-4+ |
| InChI Key | RSFQOQOSOMBPEJ-SNAWJCMRSA-N |
| MDL Number | MFCD09878833 |
| Molecular Formula | C6H10O2 |
| Molecular Weight | 114.1424 |
| SMILES | CC/C(/C)=C/C(O)=O |
| Synonyms | (E)-3-Methyl-2-pentenoic acid,
19866-50-3,
3-METHYL-2-PENTENOIC ACID,
2-Pentenoic acid, 3-methyl-, (E)-,
AC1NV8OE,
SCHEMBL265140,
(E)-3-methylpent-2-enoic acid,
ZINC1672909,
3-methylpent-2-enoic acid,
3-Methyl-pent-2-enoic acid,
NSC3932,
CID5473433,
3675-21-6,
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| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 114.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 114.144g/mol |
| Monoisotopic Mass | 114.068g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number