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-

Technical Data

Safety and Hazards

Computed Properties

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)

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Related Functional Groups

Alcohols and Derivatives

[113724-48-4]
(R)-1-(2-Methoxyphenyl)ethanol
[64437-48-5]
(Z)-10-Hexadecenol
[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
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2-Bromo-4-methoxybenzyl Alcohol
[906075-48-7]
3-Hydroxy-2-(2-thienylmethyl)propanenitrile

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[1018168-48-3]
2-[(5-Methyl-1,2-oxazol-3-yl)methoxy]acetic acid

Quinoline/Isoquinoline

[203506-30-3]
2-Amino-6-methoxy-3-methylquinoline
[36034-54-5]
4-Methoxyisoquinoline
[4965-34-8]
7-Bromo-2-methylquinoline
[1245816-24-3]
8-(Tributylstannyl)isoquinoline
[50741-46-3]
Ethyl 3-quinolinecarboxylate
[79660-46-1]
Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate

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