| CAS Number | 132559-90-1 |
| Catalog Number | AG00AHOA(AGN-PC-0NF9C4) |
| Chemical Name | 4-amino-6-methyl-2H-pyran-2-one |
| IUPAC Name | 4-amino-6-methylpyran-2-one |
| InChI | InChI=1S/C6H7NO2/c1-4-2-5(7)3-6(8)9-4/h2-3H,7H2,1H3 |
| InChI Key | ARDXSWUPBSFGCA-UHFFFAOYSA-N |
| MDL Number | MFCD18814908 |
| Molecular Formula | C6H7NO2 |
| Molecular Weight | 125.1253 |
| SMILES | O=C1C=C(N)C=C(C)O1 |
| Synonyms | 4-amino-6-methyl-2H-pyran-2-one,
132559-90-1,
4-Amino-6-methyl-2H-pyrone,
SCHEMBL1803845,
ARDXSWUPBSFGCA-UHFFFAOYSA-N,
MFCD18814908,
ZINC34621566,
4-AMINO-6-METHYLPYRAN-2-ONE,
AKOS006341381,
2H-Pyran-2-one,4-amino-6-methyl-(9CI),
CS-0036277,
4-amino-6-methyl-pyran-2-one,
CID11062385,
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| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 125.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 125.127g/mol |
| Monoisotopic Mass | 125.048g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
Lot Number