2-Methyl-5-phenyl-3-furoic Acid - CAS 108124-17-0
Catalog: |
BB002172 |
Product Name: |
2-Methyl-5-phenyl-3-furoic Acid |
CAS: |
108124-17-0 |
Synonyms: |
2-methyl-5-phenyl-3-furancarboxylic acid; 2-methyl-5-phenylfuran-3-carboxylic acid |
IUPAC Name: | 2-methyl-5-phenylfuran-3-carboxylic acid |
Description: | 2-Methyl-5-phenyl-3-furoic Acid (CAS# 108124-17-0) is a useful research chemical. |
Molecular Weight: | 202.21 |
Molecular Formula: | C12H10O3 |
Canonical SMILES: | CC1=C(C=C(O1)C2=CC=CC=C2)C(=O)O |
InChI: | InChI=1S/C12H10O3/c1-8-10(12(13)14)7-11(15-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14) |
InChI Key: | VLMNACSEESRUAK-UHFFFAOYSA-N |
Boiling Point: | 357.1 °C at 760 mmHg |
Density: | 1.215 g/cm3 |
Appearance: | Light yellow crystalline powder |
MDL: | MFCD00221070 |
LogP: | 2.95320 |
GHS Hazard Statement: | H314 (16.67%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
AU-2018360857-A1 | Modulators of the integrated stress pathway | 20171102 |
TW-201927756-A | Integrating stress pathway regulator | 20171102 |
WO-2019090076-A1 | Modulators of the integrated stress pathway | 20171102 |
BR-112020008839-A2 | modulators of the integrated stress pathway | 20171102 |
EP-3710428-A1 | Modulators of the integrated stress pathway | 20171102 |
PMID | Publication Date | Title | Journal |
29610524 | 20180403 | A lever-like transduction pathway for long-distance chemical- and mechano-gating of the mechanosensitive Piezo1 channel | Nature communications |
Complexity: | 233 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.062994177 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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