Pyrrole-3-carboxylic acid - CAS 931-03-3
Catalog: |
BB040773 |
Product Name: |
Pyrrole-3-carboxylic acid |
CAS: |
931-03-3 |
Synonyms: |
1H-pyrrole-3-carboxylic acid |
IUPAC Name: | 1H-pyrrole-3-carboxylic acid |
Description: | Pyrrole-3-carboxylic acid (CAS# 931-03-3) is used in the preparation of isoindolinone compds. as cereblon inhibitors and GSPT1 degraders. |
Molecular Weight: | 111.10 |
Molecular Formula: | C5H5NO2 |
Canonical SMILES: | C1=CNC=C1C(=O)O |
InChI: | InChI=1S/C5H5NO2/c7-5(8)4-1-2-6-3-4/h1-3,6H,(H,7,8) |
InChI Key: | DOYOPBSXEIZLRE-UHFFFAOYSA-N |
Boiling Point: | 340.3 °C at760 mmHg |
Melting Point: | 209 °C |
Purity: | > 95.0 % (GC) (T) |
Density: | 1.383 g/cm3 |
Appearance: | White to light yellow crystal powde |
MDL: | MFCD00800594 |
LogP: | 0.71290 |
GHS Hazard Statement: | H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2016096827-A1 | Tank-binding kinase inhibitor compounds | 20140926 |
EP-2947126-A1 | Conductive polymer composite and substrate | 20140520 |
US-2015340118-A1 | Conductive polymer composite and substrate | 20140520 |
US-2015315198-A1 | Pyrazolopyridine pyrazolopyrimidine and related compounds | 20140505 |
WO-2015171527-A1 | Pyrazolopyridine pyrazolopyrimidine and related compounds | 20140505 |
PMID | Publication Date | Title | Journal |
22856530 | 20120801 | In situ electrochemical-transmission surface plasmon resonance spectroscopy for poly(pyrrole-3-carboxylic acid) thin-film-based biosensor applications | ACS applied materials & interfaces |
21874203 | 20111021 | Localized surface plasmon resonance interfaces coated with poly[3-(pyrrolyl)carboxylic acid] for histidine-tagged peptide sensing | The Analyst |
20964284 | 20101119 | One-step continuous flow synthesis of highly substituted pyrrole-3-carboxylic acid derivatives via in situ hydrolysis of tert-butyl esters | Organic letters |
20227108 | 20100601 | A high-performance VEGF aptamer functionalized polypyrrole nanotube biosensor | Biomaterials |
19914055 | 20100215 | Hsp90-functionalized polypyrrole nanotube FET sensor for anti-cancer agent detection | Biosensors & bioelectronics |
Complexity: | 103 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 111.032028402 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 111.032028402 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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