| CAS Number | 16982-86-8 |
| Catalog Number | AG00AN71(AGN-PC-0NFG2G) |
| Chemical Name | 3-methyl-3,4-dihydro-2H-1-benzopyran-4-one |
| IUPAC Name | 3-methyl-2,3-dihydrochromen-4-one |
| InChI | InChI=1S/C10H10O2/c1-7-6-12-9-5-3-2-4-8(9)10(7)11/h2-5,7H,6H2,1H3 |
| InChI Key | PYKLMHVJWGDWOH-UHFFFAOYSA-N |
| MDL Number | MFCD09035094 |
| Molecular Formula | C10H10O2 |
| Molecular Weight | 162.1852 |
| SMILES | CC1C(=O)C2=C(C=CC=C2)OC1 |
| Synonyms | 16982-86-8,
3-methyl-chroman-4-one,
2,3-Dihydro-3-methyl-4H-1-benzopyran-4-one,
3-methylchroman-4-one,
3-methyl-3,4-dihydro-2h-1-benzopyran-4-one,
SCHEMBL768947,
CHEMBL1708134,
CTK8H2170,
PYKLMHVJWGDWOH-UHFFFAOYSA-N,
AKOS000426556,
AKOS022532645,
3-Methyl-2H-1-benzopyran-4(3H)-one,
NCGC00161065-01,
NCGC00161065-02,
CID11073737,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.188g/mol |
| Monoisotopic Mass | 162.068g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number