Isoquinoline-8-carboxylic acid - CAS 61563-43-7
Catalog: |
BB031183 |
Product Name: |
Isoquinoline-8-carboxylic acid |
CAS: |
61563-43-7 |
Synonyms: |
8-isoquinolinecarboxylic acid; isoquinoline-8-carboxylic acid |
IUPAC Name: | isoquinoline-8-carboxylic acid |
Description: | Isoquinoline-8-carboxylic acid (CAS# 61563-43-7) is a useful research chemical. |
Molecular Weight: | 173.17 |
Molecular Formula: | C10H7NO2 |
Canonical SMILES: | C1=CC2=C(C=NC=C2)C(=C1)C(=O)O |
InChI: | InChI=1S/C10H7NO2/c12-10(13)8-3-1-2-7-4-5-11-6-9(7)8/h1-6H,(H,12,13) |
InChI Key: | VMNZQPRIUSJCOH-UHFFFAOYSA-N |
Boiling Point: | 405.6 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.339 g/cm3 |
MDL: | MFCD06738935 |
LogP: | 1.93300 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021008057-A1 | Substituted heterocycles as antiviral agents | 20190711 |
WO-2021007488-A1 | Substituted heterocycles as antiviral agents | 20190711 |
CN-111377934-A | Heterocyclic compound, preparation and application thereof | 20181229 |
CN-111116577-A | Fused tetracyclic compounds and application thereof in medicines | 20181030 |
CN-111116588-A | Fused tetracyclic compounds and application thereof in medicines | 20181030 |
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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