5-Hydroxyisoindolin-1-one - CAS 252061-66-8
Catalog: |
BB064062 |
Product Name: |
5-Hydroxyisoindolin-1-one |
CAS: |
252061-66-8 |
Synonyms: |
5-Hydroxy-2,3-dihydroisoindol-1-one; 2,3-Dihydro-5-hydroxy-1H-isoindol-1-one |
IUPAC Name: | 5-hydroxy-2,3-dihydroisoindol-1-one |
Description: | 5-Hydroxyisoindolin-1-one, can be used in the synthesis of chemical compounds, such as in design and Synthesis of Pyrrolo[3,2-d]pyrimidine Human Epidermal Growth Factor Receptor. |
Molecular Weight: | 149.15 |
Molecular Formula: | C8H7NO2 |
Canonical SMILES: | C1C2=C(C=CC(=C2)O)C(=O)N1 |
InChI: | InChI=1S/C8H7NO2/c10-6-1-2-7-5(3-6)4-9-8(7)11/h1-3,10H,4H2,(H,9,11) |
InChI Key: | NLNNRNIJRFYGFB-UHFFFAOYSA-N |
References: | Kawakita, Y. et al. J. Med. Chem., Vol. 55, Isuse8, Pages3975-3991 (2012). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 149.047678466 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 149.047678466 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 49.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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