| CAS Number | 91142-52-8 |
| Catalog Number | AG01AHTI |
| Chemical Name | 7,8-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one |
| IUPAC Name | 7,8-dimethyl-2,3-dihydrochromen-4-one |
| InChI | InChI=1S/C11H12O2/c1-7-3-4-9-10(12)5-6-13-11(9)8(7)2/h3-4H,5-6H2,1-2H3 |
| InChI Key | DGJPNROVDODAIE-UHFFFAOYSA-N |
| MDL Number | MFCD11207537 |
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.2118 |
| SMILES | CC1=C(C)C2=C(C(CCO2)=O)C=C1 |
| Synonyms | 91142-52-8,
SCHEMBL7761381,
7,8-DIMETHYLCHROMAN-4-ONE,
ZINC36928537,
7,8-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one,
7,8-Dimethyl-2,3-dihydro-4H-chromen-4-one, AldrichCPR,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.215g/mol |
| Monoisotopic Mass | 176.084g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number