| CAS Number | 1007455-36-8 |
| Catalog Number | AG0091TS(AGN-PC-0WABHA) |
| Chemical Name | 5'-hydroxy-2',3'-dihydrospiro[cyclopropane-1,1'-isoindole]-3'-one |
| IUPAC Name | 6-hydroxyspiro[2H-isoindole-3,1'-cyclopropane]-1-one |
| InChI | InChI=1S/C10H9NO2/c12-6-1-2-8-7(5-6)9(13)11-10(8)3-4-10/h1-2,5,12H,3-4H2,(H,11,13) |
| InChI Key | KHZYNQKGFDFZOY-UHFFFAOYSA-N |
| MDL Number | MFCD18651792 |
| Molecular Formula | C10H9NO2 |
| Molecular Weight | 175.1840 |
| SMILES | O=C2(NC1(CC1)(C3(=C2C=C(O)C=C3))) |
| Synonyms | 1007455-36-8,
5'-HYDROXYSPIRO[CYCLOPROPANE-1,1'-ISOINDOLIN]-3'-ONE,
5'-hydroxy-2',3'-dihydrospiro[cyclopropane-1,1'-isoindole]-3'-one,
SCHEMBL16006554,
DTXSID90694270,
MFCD18651792,
ZINC72120032,
AKOS006366869,
EE-0208,
MCULE-2910817400,
KS-00003K88,
5-Hydroxyspiro[isoindoline-1,1'-cyclopropane]-3-one,
5'-Hydroxyspiro[cyclopropane-1,1'-isoindol]-3'(2'H)-one,
6-hydroxyspiro[2H-isoindole-3,1'-cyclopropane]-1-one,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.187g/mol |
| Monoisotopic Mass | 175.063g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number