| CAS Number | 146575-56-6 |
| Catalog Number | AG019EQG(AGN-PC-024ZLE) |
| Chemical Name | 2-(Dimethoxymethyl)-2-methylchroman-4-one |
| IUPAC Name | 2-(dimethoxymethyl)-2-methyl-3H-chromen-4-one |
| InChI | InChI=1S/C13H16O4/c1-13(12(15-2)16-3)8-10(14)9-6-4-5-7-11(9)17-13/h4-7,12H,8H2,1-3H3 |
| InChI Key | ACKIZJHRBQFYQG-UHFFFAOYSA-N |
| MDL Number | MFCD30185767 |
| Molecular Formula | C13H16O4 |
| Molecular Weight | 236.2637 |
| SMILES | COC(OC)C1(C)CC(=O)c2ccccc2O1 |
| Synonyms | 2-(Dimethoxymethyl)-2-methylchroman-4-one,
146575-56-6,
2-dimethoxymethyl-2-methyl-4-oxo-3,4-dihydro-2H-1-benzopyran,
SCHEMBL8798562,
ACKIZJHRBQFYQG-UHFFFAOYSA-N,
MFCD30185767,
CS-0035719,
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| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.267g/mol |
| Monoisotopic Mass | 236.105g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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