4,4-Dimethyl-3-oxo-1-phenyl-3,4-dihydro-1H-isochromen-1-yl acetate
Basic information
- CAS
10271-34-8- Standard SMILES
CC(=O)OC1(c2ccccc2)OC(=O)C(C)(C)c2ccccc21- InChIKey
DDMLLGMPLLDPCO-UHFFFAOYSA-N- Molecular formula
- C19H18O4
- Average molar mass
- 310.3 g/mol
- Monoisotopic mass
- 310.12050905
Names & identifiers
- Preferred name
- 4,4-Dimethyl-3-oxo-1-phenyl-3,4-dihydro-1H-isochromen-1-yl acetate
- IUPAC
- (4,4-dimethyl-3-oxo-1-phenylisochromen-1-yl) acetate
Names & synonyms
10271-34-83TMJ75I6FGNSC171739UNII-3TMJ75I6FGNSC 1717394,4-Dimethyl-3-oxo-1-phenyl-3,4-dihydro-1H-isochromen-1-yl acetateNSC-1717393H-2-BENZOPYRAN-3-ONE, 1-(ACETYLOXY)-1,4-DIHYDRO-4,4-DIMETHYL-1-PHENYL-4,4-Dimethyl-3-oxo-1-phenylisochroman-1-yl acetate(4,4-dimethyl-3-oxo-1-phenyl-isochroman-1-yl) acetate3-ISOCHROMANONE, 1-HYDROXY-4,4-DIMETHYL-1-PHENYL-, ACETATE1-(ACETYLOXY)-1,4-DIHYDRO-4,4-DIMETHYL-1-PHENYL-3H-2-BENZOPYRAN-3-ONE
Show more names
HYDRATROPIC ACID, O-(.ALPHA.,.ALPHA.-DIHYDROXYBENZYL)-.ALPHA.-METHYL-, .DELTA.-LACTONE, ACETATE
Database identifiers
- CAS
10271-34-8- PubChem CID
- 299267
- UNII
- 3TMJ75I6FG
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 478
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…