3-(5-Formyl-2-thienyl)benzoic acid - CAS 606970-74-5
Catalog: |
BB030775 |
Product Name: |
3-(5-Formyl-2-thienyl)benzoic acid |
CAS: |
606970-74-5 |
Synonyms: |
3-(5-formylthiophen-2-yl)benzoic acid |
IUPAC Name: | 3-(5-formylthiophen-2-yl)benzoic acid |
Description: | 3-(5-Formyl-2-thienyl)benzoic acid (CAS# 606970-74-5) is a useful intermediate in organic synthesis. |
Molecular Weight: | 232.26 |
Molecular Formula: | C12H8O3S |
Canonical SMILES: | C1=CC(=CC(=C1)C(=O)O)C2=CC=C(S2)C=O |
InChI: | InChI=1S/C12H8O3S/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: | VIKAAKFSYUCLTJ-UHFFFAOYSA-N |
Appearance: | Solid |
MDL: | MFCD06740280 |
LogP: | 2.92580 |
GHS Hazard Statement: | H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2011135303-A2 | Ubiquitination modulators | 20100429 |
EP-2558577-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
EP-2558577-B1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
EP-3540059-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
US-2013281324-A1 | Bi-functinal complexes and methods for making and using such complexes | 20100416 |
Complexity: | 279 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.01941529 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.01941529 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 82.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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Thiophenes
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