| CAS Number | 59507-94-7 |
| Catalog Number | AG00ENRO(AGN-PC-0NI9NQ) |
| Chemical Name | 3-Amino-4H-chromen-4-one |
| IUPAC Name | 3-aminochromen-4-one |
| InChI | InChI=1S/C9H7NO2/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-5H,10H2 |
| InChI Key | KHHXAUPSBBQGKY-UHFFFAOYSA-N |
| MDL Number | MFCD17926183 |
| Molecular Formula | C9H7NO2 |
| Molecular Weight | 161.1574 |
| SMILES | C1=CC=C2C(=C1)C(=O)C(=CO2)N |
| Synonyms | 3-aminochromone,
3-AMINO-4H-CHROMEN-4-ONE,
59507-94-7,
3-Amino-4H-1-benzopyran-4-one,
3-aminochromone,
3-amino-chromen-4-one,
SCHEMBL11235545,
DTXSID20482768,
KHHXAUPSBBQGKY-UHFFFAOYSA-N,
3-amino-4-oxo-4H-1-benzopyrane,
4H-1-Benzopyran-4-one, 3-amino-,
MFCD17926183,
ZINC39192785,
AS-35453,
AB0073195,
X-2144,
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| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.16g/mol |
| Monoisotopic Mass | 161.048g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number