5-Formyl-2-furancarboxylic Acid - CAS 13529-17-4
Catalog: |
BB008127 |
Product Name: |
5-Formyl-2-furancarboxylic Acid |
CAS: |
13529-17-4 |
Synonyms: |
5-formyl-2-furancarboxylic acid; 5-formylfuran-2-carboxylic acid |
IUPAC Name: | 5-formylfuran-2-carboxylic acid |
Description: | 5-Formyl-2-furancarboxylic Acid (CAS# 13529-17-4) is a compound useful in organic synthesis. |
Molecular Weight: | 140.09 |
Molecular Formula: | C6H4O4 |
Canonical SMILES: | C1=C(OC(=C1)C(=O)O)C=O |
InChI: | InChI=1S/C6H4O4/c7-3-4-1-2-5(10-4)6(8)9/h1-3H,(H,8,9) |
InChI Key: | SHNRXUWGUKDPMA-UHFFFAOYSA-N |
Boiling Point: | 356.9 °C at 760 mmHg |
Density: | 1.453 g/cm3 |
Storage: | Keep in inert atmosphere, store in freezer, under -20 °C. |
LogP: | 0.79030 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22031465 | 20111201 | Microbial degradation of furanic compounds: biochemistry, genetics, and impact | Applied microbiology and biotechnology |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.01095860 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.01095860 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 67.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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