| CAS Number | 1018584-77-4 |
| Catalog Number | AG01DUWX |
| Chemical Name | 4,5,6,7-Tetrahydro-1,2-benzoxazole-3-carbaldehyde |
| IUPAC Name | 4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbaldehyde |
| InChI | InChI=1S/C8H9NO2/c10-5-7-6-3-1-2-4-8(6)11-9-7/h5H,1-4H2 |
| InChI Key | OBILEGQRRXMNDZ-UHFFFAOYSA-N |
| MDL Number | MFCD10036257 |
| Molecular Formula | C8H9NO2 |
| Molecular Weight | 151.1626 |
| SMILES | O=CC1C2=C(CCCC2)ON=1 |
| Synonyms | 4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carbaldehyde,
1018584-77-4,
4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbaldehyde,
ZINC20270530,
AKOS006302676,
SC-31311,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 151.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 151.165g/mol |
| Monoisotopic Mass | 151.063g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number