Isoquinoline-4-carboxylic Acid - CAS 7159-36-6
Catalog: |
BB034429 |
Product Name: |
Isoquinoline-4-carboxylic Acid |
CAS: |
7159-36-6 |
Synonyms: |
4-isoquinolinecarboxylic acid; isoquinoline-4-carboxylic acid |
IUPAC Name: | isoquinoline-4-carboxylic acid |
Description: | Isoquinoline-4-carboxylic Acid (CAS# 7159-36-6) is a useful research chemical. |
Molecular Weight: | 173.17 |
Molecular Formula: | C10H7NO2 |
Canonical SMILES: | C1=CC=C2C(=C1)C=NC=C2C(=O)O |
InChI: | InChI=1S/C10H7NO2/c12-10(13)9-6-11-5-7-3-1-2-4-8(7)9/h1-6H,(H,12,13) |
InChI Key: | MCVMLYSLPCECGO-UHFFFAOYSA-N |
Boiling Point: | 405.6 °C at 760 mmHg |
Density: | 1.339 g/cm3 |
MDL: | MFCD00094344 |
LogP: | 1.93300 |
GHS Hazard Statement: | H302 (100%): 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 |
CN-113072497-A | Protease inhibitors, their preparation and use | 20210112 |
CN-111995575-A | Preparation method of quinoline amide compound | 20200911 |
EP-3892332-A1 | New anti-malarial agents | 20200409 |
WO-2021204952-A1 | New anti-malarial agents | 20200409 |
WO-2021045879-A1 | Synthesis of deuterated aldehydes | 20190903 |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.047678466 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.047678466 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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