| CAS Number | 130306-62-6 |
| Catalog Number | AG00IR3J(AGN-PC-0WAUZC) |
| Chemical Name | 3-[(hydroxyimino)methyl]-4H-chromen-4-one |
| IUPAC Name | 3-(hydroxyiminomethyl)chromen-4-one |
| InChI | InChI=1S/C10H7NO3/c12-10-7(5-11-13)6-14-9-4-2-1-3-8(9)10/h1-6,13H |
| InChI Key | MMIBNGDNUPBZNT-UHFFFAOYSA-N |
| MDL Number | MFCD00232783 |
| Molecular Formula | C10H7NO3 |
| Molecular Weight | 189.1675 |
| SMILES | ON=CC1C(=O)C2=C(C=CC=C2)OC=1 |
| Synonyms | AC1LB8JG,
61424-75-7,
4-Oxo-4H-chromene-3-carbaldehyde oxime,
130306-62-6,
3-(hydroxyiminomethyl)chromen-4-one,
3-[(hydroxyimino)methyl]-4H-chromen-4-one,
CTK2E0249,
DTXSID10342064,
KS-00001Y5S,
AKOS030245004,
MCULE-6243481532,
4H-1-Benzopyran-3-carboxaldehyde, 4-oxo-, 3-oxime,
Z55993033,
CID578311,
ZINC00522918,
|
| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.17g/mol |
| Monoisotopic Mass | 189.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number