| CAS Number | 14003-12-4 |
| Catalog Number | AG001BYY(AGN-PC-0LLZCJ) |
| Chemical Name | Ethyl 5-methylfuran-2-carboxylate |
| IUPAC Name | ethyl 5-methylfuran-2-carboxylate |
| InChI | InChI=1S/C8H10O3/c1-3-10-8(9)7-5-4-6(2)11-7/h4-5H,3H2,1-2H3 |
| InChI Key | CDQUPTICIPKERO-UHFFFAOYSA-N |
| MDL Number | MFCD06204282 |
| Molecular Formula | C8H10O3 |
| Molecular Weight | 154.1632 |
| SMILES | CCOC(C1OC(C)=CC=1)=O |
| Synonyms | Ethyl 5-methylfuran-2-carboxylate,
14003-12-4,
2-Furancarboxylic acid, 5-methyl-, ethyl ester,
ethyl 5-methyl-2-furoate,
AC1NN64W,
SCHEMBL669793,
CTK0F1646,
DTXSID70407941,
CDQUPTICIPKERO-UHFFFAOYSA-N,
ethyl 5-methyl-2-furancarboxylate,
MFCD06204282,
ZINC33682264,
AKOS008949227,
5-methylfuran-2-carboxylic acid ethyl ester,
5-Methyl-2-furancarboxylic acid ethyl ester,
J3.505.495B,
CID5063080,
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| Complexity | 144 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.165g/mol |
| Monoisotopic Mass | 154.063g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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