| CAS Number | 959085-47-3 |
| Catalog Number | AG01C24N |
| Chemical Name | 3-HYDROXY-4-METHYL-2,3-DIHYDRO-1H-INDOL-2-ONE |
| IUPAC Name | 3-hydroxy-4-methyl-1,3-dihydroindol-2-one |
| InChI | InChI=1S/C9H9NO2/c1-5-3-2-4-6-7(5)8(11)9(12)10-6/h2-4,8,11H,1H3,(H,10,12) |
| InChI Key | RMWYLIYSSGZTJQ-UHFFFAOYSA-N |
| MDL Number | MFCD29762679 |
| Molecular Formula | C9H9NO2 |
| Molecular Weight | 163.1733 |
| SMILES | CC1=C2C(NC(C2O)=O)=CC=C1 |
| Synonyms | 3-hydroxy-4-methyl-2,3-dihydro-1H-indol-2-one,
959085-47-3,
AC1LC9XW,
3-Hydroxy-4-methyl-1,3-dihydro-indol-2-one,
CTK7H6038,
RMWYLIYSSGZTJQ-UHFFFAOYSA-N,
AKOS033878232,
3-hydroxy-4-methyl-1,3-dihydroindol-2-one,
3-Hydroxy-4-methyl-1,3-dihydro-2H-indol-2-one,
3-Hydroxy-4-methyl-1,3-dihydro-2H-indol-2-one #,
Z2372279536,
CID572405,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.176g/mol |
| Monoisotopic Mass | 163.063g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number