CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Boiling Point | 230.00 to 232.00 °C. @ 760.00 mm Hg |
| Melting Point | 133.5 °C |
| Solubility | 37.1 mg/mL at 15 °C |
| LogP | 0.64 |
| Kovats Retention Index | 1087.8 |
COMPUTED DESCRIPTORS
| Molecular Weight | 112.08 g/mol |
|---|---|
| XLogP3 | 0.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 112.016043985 g/mol |
| Monoisotopic Mass | 112.016043985 g/mol |
| Topological Polar Surface Area | 50.4 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 99.8 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-furoic acid is a furoic acid having the carboxylic acid group located at position 2. It has a role as an inhibitor, a human xenobiotic metabolite, a Saccharomyces cerevisiae metabolite, a plant metabolite and a bacterial xenobiotic metabolite. It is a conjugate acid of a 2-furoate.