1-oxo-1,2-dihydro-isoquinoline-3-carboxylic acid - CAS 7509-13-9
Catalog: |
BB035237 |
Product Name: |
1-oxo-1,2-dihydro-isoquinoline-3-carboxylic acid |
CAS: |
7509-13-9 |
Synonyms: |
1-oxo-2H-isoquinoline-3-carboxylic acid; 1-oxo-2H-isoquinoline-3-carboxylic acid |
IUPAC Name: | 1-oxo-2H-isoquinoline-3-carboxylic acid |
Description: | 1-oxo-1,2-dihydro-isoquinoline-3-carboxylic acid (CAS# 7509-13-9) is a useful research chemical. |
Molecular Weight: | 189.17 |
Molecular Formula: | C10H7NO3 |
Canonical SMILES: | C1=CC=C2C(=C1)C=C(NC2=O)C(=O)O |
InChI: | InChI=1S/C10H7NO3/c12-9-7-4-2-1-3-6(7)5-8(11-9)10(13)14/h1-5H,(H,11,12)(H,13,14) |
InChI Key: | KYWCUACNBIYDNL-UHFFFAOYSA-N |
Boiling Point: | 469.7 °C at 760 mmHg |
MDL: | MFCD01845162 |
LogP: | 1.22630 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021128680-A1 | Method for treating cardiopulmonary disorder | 20191030 |
WO-2021035515-A1 | Short synthetic peptide and their uses for treating retinal degenerative diseases and/or tissue injuries | 20190827 |
US-2020109170-A1 | Short synthetic peptide and uses thereof | 20180513 |
US-10875891-B2 | Short synthetic peptide and uses thereof | 20180513 |
US-2019309044-A1 | Polypeptides and uses thereof as a drug for treatment of autoimmune disorders | 20170514 |
Complexity: | 309 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.042593085 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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