5-Hydroxy-3,4-dihydro-2H-isoquinolin-1-one - CAS 56469-02-4
Catalog: |
BB046678 |
Product Name: |
5-Hydroxy-3,4-dihydro-2H-isoquinolin-1-one |
CAS: |
56469-02-4 |
Synonyms: |
3,4-Dihydro-5-hydroxy-1(2H)-isoquinolinone; 1(2H)-Isoquinolinone, 3,4-dihydro-5-hydroxy- |
IUPAC Name: | 5-hydroxy-3,4-dihydroisoquinolin-1(2H)-one |
Description: | 5-Hydroxy-3,4-dihydro-2H-isoquinolin-1-one (CAS# 56469-02-4 ) is a useful research chemical. |
Molecular Weight: | 163.17 |
Molecular Formula: | C9H9NO2 |
Canonical SMILES: | C1CNC(=O)C2=C1C(=CC=C2)O |
InChI: | InChI=1S/C9H9NO2/c11-8-3-1-2-7-6(8)4-5-10-9(7)12/h1-3,11H,4-5H2,(H,10,12) |
InChI Key: | CMNQIVHHHBBVSC-UHFFFAOYSA-N |
Boiling Point: | 473.8±45.0 °C (Predicted) |
Purity: | 95 % |
Density: | 1.282±0.06 g/cm3 (Predicted) |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.06332853 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.06332853 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 49.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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Related Functional Groups
Alcohols and Derivatives
Carbonyl Compounds
Quinoline/Isoquinoline
-
[91092-92-1]C11H9NO4
3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione
-
[30740-95-5]C12H16ClNO4
6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid hydrochloride
-
[938001-63-9]C11H12ClN3
9-Chloro-1-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]quinoline
-
[13676-02-3]C10H8ClNO
2-Chloro-6-methoxyquinoline
-
[36034-54-5]C10H9NO
4-Methoxyisoquinoline
-
[4965-34-8]C10H8BrN
7-Bromo-2-methylquinoline
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