3-(5-Formylfuran-2-yl)benzoic acid - CAS 304884-54-6
Catalog: |
BB049254 |
Product Name: |
3-(5-Formylfuran-2-yl)benzoic acid |
CAS: |
304884-54-6 |
Synonyms: |
3-(5-formylfuran-2-yl)benzoicacid |
IUPAC Name: | 3-(5-formylfuran-2-yl)benzoic acid |
Description: | 3-(5-Formylfuran-2-yl)benzoic acid (CAS# 304884-54-6 ) is a useful research chemical. |
Molecular Weight: | 216.19 |
Molecular Formula: | C12H8O4 |
Canonical SMILES: | C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)C=O |
InChI: | InChI=1S/C12H8O4/c13-7-10-4-5-11(16-10)8-2-1-3-9(6-8)12(14)15/h1-7H,(H,14,15) |
InChI Key: | WOAXPFPTVKBPAC-UHFFFAOYSA-N |
Boiling Point: | 464.8±40.0 °C (Predicted) |
Melting Point: | 264-266 °C |
Purity: | 95 % |
Density: | 1.336±0.06 g/cm3(Predicted) |
Appearance: | Solid |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 276 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.04225873 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.04225873 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 67.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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