Benzo[c]isoxazole-3-carbaldehyde - CAS 74052-97-4
Catalog: |
BB034979 |
Product Name: |
Benzo[c]isoxazole-3-carbaldehyde |
CAS: |
74052-97-4 |
Synonyms: |
2,1-benzoxazole-3-carboxaldehyde; 2,1-benzoxazole-3-carbaldehyde |
IUPAC Name: | 2,1-benzoxazole-3-carbaldehyde |
Description: | Benzo[c]isoxazole-3-carbaldehyde (CAS# 74052-97-4 ) is a useful research chemical. |
Molecular Weight: | 147.13 |
Molecular Formula: | C8H5NO2 |
Canonical SMILES: | C1=CC2=C(ON=C2C=C1)C=O |
InChI: | InChI=1S/C8H5NO2/c10-5-8-6-3-1-2-4-7(6)9-11-8/h1-5H |
InChI Key: | ZVXWZPZFZOHXRV-UHFFFAOYSA-N |
LogP: | 1.64030 |
Publication Number | Title | Priority Date |
EP-2429523-A1 | Thiazolidin-4-one and [1,3]-thiazinan-4-one compounds as orexin receptor antagonists | 20090512 |
EP-2430004-A2 | Novel oxazolidinone derivatives and their use as orexin receptor antagonists | 20090512 |
WO-2010131191-A1 | Thiazolidin-4-one and [1,3]-thiazinan-4-one compounds as orexin receptor antagonists | 20090512 |
WO-2010131192-A2 | Novel oxazolidinone derivatives | 20090512 |
EP-1957476-A1 | L-alanine derivatives | 20051123 |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 147.032028402 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 147.032028402 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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