1-Oxo-1H-isochromene-3-carboxylic Acid - CAS 2289-03-4
Catalog: |
BB017795 |
Product Name: |
1-Oxo-1H-isochromene-3-carboxylic Acid |
CAS: |
2289-03-4 |
Synonyms: |
1-oxo-2-benzopyran-3-carboxylic acid; 1-oxoisochromene-3-carboxylic acid |
IUPAC Name: | 1-oxoisochromene-3-carboxylic acid |
Description: | 1-Oxo-1H-isochromene-3-carboxylic Acid (CAS# 2289-03-4) is a useful research chemical. |
Molecular Weight: | 190.15 |
Molecular Formula: | C10H6O4 |
Canonical SMILES: | C1=CC=C2C(=C1)C=C(OC2=O)C(=O)O |
InChI: | InChI=1S/C10H6O4/c11-9(12)8-5-6-3-1-2-4-7(6)10(13)14-8/h1-5H,(H,11,12) |
InChI Key: | CRPAMTZHVXHTKH-UHFFFAOYSA-N |
Boiling Point: | 358.8 ℃ at 760 mmHg |
Density: | 1.493 g/cm3 |
LogP: | 1.49120 |
Publication Number | Title | Priority Date |
WO-2013030358-A1 | Glycine b antagonists | 20110831 |
EP-2611780-A1 | Substituted 1-oxo-dihydroisoquinoline-3-carboxamides as kcnq2/3 modulators | 20100901 |
JP-2013536808-A | Substituted 1-oxo-dihydroisoquinoline-3-carboxamides as KCNQ2 / 3 modulators | 20100901 |
JP-5976649-B2 | Substituted 1-oxo-dihydroisoquinoline-3-carboxamides as KCNQ2 / 3 modulators | 20100901 |
US-2012053203-A1 | Substituted 1-oxo-dihydroisoquinoline-3-carboxamides as KCNQ2/3 modulators | 20100901 |
PMID | Publication Date | Title | Journal |
17279805 | 20070122 | 1,2-HOIQO--a highly versatile 1,2-HOPO analogue | Inorganic chemistry |
Complexity: | 305 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.02660867 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.02660867 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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