| CAS Number | 5896-37-7 |
| Catalog Number | AG01AIZH(AGN-PC-0WOCWR) |
| Chemical Name | Ethyl 3-(5-methylfuran-2-yl)-3-oxopropanoate |
| IUPAC Name | ethyl 3-(5-methylfuran-2-yl)-3-oxopropanoate |
| InChI | InChI=1S/C10H12O4/c1-3-13-10(12)6-8(11)9-5-4-7(2)14-9/h4-5H,3,6H2,1-2H3 |
| InChI Key | YTFKXSDOXXHURF-UHFFFAOYSA-N |
| MDL Number | MFCD10693757 |
| Molecular Formula | C10H12O4 |
| Molecular Weight | 196.1999 |
| SMILES | CCOC(=O)CC(=O)C1=CC=C(O1)C |
| Synonyms | ethyl 3-(5-methylfuran-2-yl)-3-oxopropanoate,
5896-37-7,
ZINC34957408,
AKOS005200540,
MCULE-1989697409,
NE19569,
EN300-79414,
ethyl 3-(5-methyl-2-furyl)-3-oxopropanoate,
I14-21926,
I14-23334,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.202g/mol |
| Monoisotopic Mass | 196.074g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 56.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number