1-Oxo-1,2,3,4-tetrahydroisoquinoline-7-carbaldehyde - CAS 952587-40-5
Catalog: |
BB041664 |
Product Name: |
1-Oxo-1,2,3,4-tetrahydroisoquinoline-7-carbaldehyde |
CAS: |
952587-40-5 |
Synonyms: |
1-oxo-3,4-dihydro-2H-isoquinoline-7-carboxaldehyde; 1-oxo-3,4-dihydro-2H-isoquinoline-7-carbaldehyde |
IUPAC Name: | 1-oxo-3,4-dihydro-2H-isoquinoline-7-carbaldehyde |
Description: | 1-Oxo-1,2,3,4-tetrahydroisoquinoline-7-carbaldehyde (CAS# 952587-40-5 ) is a useful research chemical. |
Molecular Weight: | 175.18 |
Molecular Formula: | C10H9NO2 |
Canonical SMILES: | C1CNC(=O)C2=C1C=CC(=C2)C=O |
InChI: | InChI=1S/C10H9NO2/c12-6-7-1-2-8-3-4-11-10(13)9(8)5-7/h1-2,5-6H,3-4H2,(H,11,13) |
InChI Key: | NEXKWEXHDTYTPN-UHFFFAOYSA-N |
LogP: | 1.11380 |
Publication Number | Title | Priority Date |
EP-2001887-A1 | Pyrrolo-quinoxalinone derivatives as antibacterials | 20060406 |
EP-2001887-B1 | Pyrrolo-quinoxalinone derivatives as antibacterials | 20060406 |
ES-2351585-T3 | DERIVATIVES OF PIRROLOQUINOXALINONA AS ANTIBACTERIAL AGENTS. | 20060406 |
JP-2009532423-A | Pyrrolo-quinoxalinone derivatives as antibacterial agents | 20060406 |
US-2009062265-A1 | Pyrrolo-Quinoxalinone Derivatives as Antibacterials | 20060406 |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.06332853 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.06332853 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 46.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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