| CAS Number | 90097-49-7 |
| Catalog Number | AG01B2E5(AGN-PC-0OM92R) |
| Chemical Name | 4-(hydroxymethyl)-1,2,3,4-tetrahydroquinolin-2-one |
| IUPAC Name | 4-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one |
| InChI | InChI=1S/C10H11NO2/c12-6-7-5-10(13)11-9-4-2-1-3-8(7)9/h1-4,7,12H,5-6H2,(H,11,13) |
| InChI Key | SWTFSZCELPFVIJ-UHFFFAOYSA-N |
| MDL Number | MFCD11934758 |
| Molecular Formula | C10H11NO2 |
| Molecular Weight | 177.1998 |
| SMILES | OCC1C2=C(C=CC=C2)NC(=O)C1 |
| Synonyms | 4-(hydroxymethyl)-1,2,3,4-tetrahydroquinolin-2-one,
90097-49-7,
4-(hydroxymethyl)-3,4-dihydroquinolin-2(1H)-one,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.203g/mol |
| Monoisotopic Mass | 177.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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