| CAS Number | 1087784-37-9 |
| Catalog Number | AG019MU8 |
| Chemical Name | METHYL 5-(2-METHOXY-2-OXOETHYL)FURAN-2-CARBOXYLATE |
| IUPAC Name | methyl 5-(2-methoxy-2-oxoethyl)furan-2-carboxylate |
| InChI | InChI=1S/C9H10O5/c1-12-8(10)5-6-3-4-7(14-6)9(11)13-2/h3-4H,5H2,1-2H3 |
| InChI Key | YWTRYDAONUXRNP-UHFFFAOYSA-N |
| MDL Number | MFCD11099528 |
| Molecular Formula | C9H10O5 |
| Molecular Weight | 198.1727 |
| SMILES | COC(CC1OC(C(OC)=O)=CC=1)=O |
| Synonyms | methyl 5-(2-methoxy-2-oxoethyl)furan-2-carboxylate,
1087784-37-9,
methyl 5-(2-methoxy-2-oxoethyl)-2-furoate,
AC1Q440U,
SCHEMBL2707440,
CTK6J1996,
YWTRYDAONUXRNP-UHFFFAOYSA-N,
5-methoxycarbonylmethyl-furan-2-carboxylic acid methyl ester,
ZINC32627255,
AKOS033183708,
MCULE-8942722068,
NE30931,
EN300-37300,
Z1235963363,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.174g/mol |
| Monoisotopic Mass | 198.053g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 65.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number