| CAS Number | 64354-44-5 |
| Catalog Number | AG00EIVZ(AGN-PC-03BIQP) |
| Chemical Name | 5-ETHYL-2-METHYL-3-FUROIC ACID |
| IUPAC Name | 5-ethyl-2-methylfuran-3-carboxylic acid |
| InChI | InChI=1S/C8H10O3/c1-3-6-4-7(8(9)10)5(2)11-6/h4H,3H2,1-2H3,(H,9,10) |
| InChI Key | SDFNMLBCKQSQFN-UHFFFAOYSA-N |
| MDL Number | MFCD11045334 |
| Molecular Formula | C8H10O3 |
| Molecular Weight | 154.1632 |
| SMILES | CCC1OC(C)=C(C(O)=O)C=1 |
| Synonyms | 64354-44-5,
5-Ethyl-2-methylfuran-3-carboxylic acid,
5-ETHYL-2-METHYL-3-FUROIC ACID,
5-ethyl-2-methyl-3-Furancarboxylic acid,
SCHEMBL11722067,
CTK5C1127,
DTXSID70613787,
SDFNMLBCKQSQFN-UHFFFAOYSA-N,
AKOS006309729,
ZINC104462822,
3-Furancarboxylic acid,5-ethyl-2-methyl-,
DB-073489,
FT-0758489,
5-ETHYL-2-METHYL-3-FUROICACID,
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| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.165g/mol |
| Monoisotopic Mass | 154.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.4A^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