| CAS Number | 246178-75-6 |
| Catalog Number | AG002OS3(AGN-PC-00P6T2) |
| Chemical Name | 5-(Hydroxymethyl)furan-3-carboxylic acid |
| IUPAC Name | 5-(hydroxymethyl)furan-3-carboxylic acid |
| InChI | InChI=1S/C6H6O4/c7-2-5-1-4(3-10-5)6(8)9/h1,3,7H,2H2,(H,8,9) |
| InChI Key | ZEACFIAQNKKVPN-UHFFFAOYSA-N |
| MDL Number | MFCD16702598 |
| Molecular Formula | C6H6O4 |
| Molecular Weight | 142.1094 |
| SMILES | OCC1OC=C(C(O)=O)C=1 |
| Synonyms | 5-(Hydroxymethyl)furan-3-carboxylic acid,
246178-75-6,
3-Furancarboxylic acid, 5-(hydroxymethyl)-,
SCHEMBL3124525,
CTK0J4738,
DTXSID80572634,
ZINC14490206,
5-hydroxymethylfuran-3-carboxylic acid,
AKOS011551079,
2-(Hydroxymethyl)furan-4-carboxylic acid,
Z2467523284,
5-Hydroxymethyl-furan-3-carboxylic acid,
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| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.11g/mol |
| Monoisotopic Mass | 142.027g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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Certificate of Analysis
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