| CAS Number | 23268-41-9 |
| Catalog Number | AG01B8K7 |
| Chemical Name | 3-(Methoxycarbonyl)furan-2-carboxylic acid |
| IUPAC Name | 3-methoxycarbonylfuran-2-carboxylic acid |
| InChI | InChI=1S/C7H6O5/c1-11-7(10)4-2-3-12-5(4)6(8)9/h2-3H,1H3,(H,8,9) |
| InChI Key | WULAGCQNPNLHMZ-UHFFFAOYSA-N |
| MDL Number | MFCD28246543 |
| Molecular Formula | C7H6O5 |
| Molecular Weight | 170.1195 |
| SMILES | COC(C1=C(C(O)=O)OC=C1)=O |
| Synonyms | 3-(methoxycarbonyl)furan-2-carboxylic acid,
23268-41-9,
ZINC59623567,
AKOS033723827,
Z1998636971,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.12g/mol |
| Monoisotopic Mass | 170.022g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number