| CAS Number | 632300-84-6 |
| Catalog Number | AG019K36 |
| Chemical Name | 3-acetyl-3,4-dihydro-1H-2-benzopyran-1-one |
| IUPAC Name | 3-acetyl-3,4-dihydroisochromen-1-one |
| InChI | InChI=1S/C11H10O3/c1-7(12)10-6-8-4-2-3-5-9(8)11(13)14-10/h2-5,10H,6H2,1H3 |
| InChI Key | QFIHNJBMJDMZNM-UHFFFAOYSA-N |
| MDL Number | MFCD03765627 |
| Molecular Formula | C11H10O3 |
| Molecular Weight | 190.1953 |
| SMILES | CC(C1OC(=O)C2=C(C=CC=C2)C1)=O |
| Synonyms | 3-acetyl-3,4-dihydro-1H-2-benzopyran-1-one,
3-acetyl-3,4-dihydro-1H-isochromen-1-one,
632300-84-6,
3-acetyl-1-oxoisochromane,
AC1NA938,
AC1Q1K12,
CTK5J9892,
SBB084106,
AKOS001288387,
AKOS016042136,
3-acetyl-3,4-dihydroisochromen-1-one,
MCULE-8798283850,
NE59216,
EN300-25357,
ZINC00107370,
CID4373530,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.198g/mol |
| Monoisotopic Mass | 190.063g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number