5-methoxy-2,3-dihydro-isoindol-1-one - CAS 22246-66-8

Name: 5-methoxy-2,3-dihydro-isoindol-1-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB017475
Product Name:	5-methoxy-2,3-dihydro-isoindol-1-one
CAS:	22246-66-8
Synonyms:	5-methoxy-2,3-dihydroisoindol-1-one; 5-methoxy-2,3-dihydroisoindol-1-one

Technical Data

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Patents

Computed Properties

IUPAC Name:	5-methoxy-2,3-dihydroisoindol-1-one
Description:	5-methoxy-2,3-dihydro-isoindol-1-one (CAS# 22246-66-8) is a useful research chemical.
Molecular Weight:	163.17
Molecular Formula:	C9H9NO2
Canonical SMILES:	COC1=CC2=C(C=C1)C(=O)NC2
InChI:	InChI=1S/C9H9NO2/c1-12-7-2-3-8-6(4-7)5-10-9(8)11/h2-4H,5H2,1H3,(H,10,11)
InChI Key:	VVXUPZRABQQCKL-UHFFFAOYSA-N
Boiling Point:	439.235 °C at 760 mmHg
Purity:	95 %
Density:	1.208 g/cm³
LogP:	1.26740

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Related Functional Groups

Carbonyl Compounds

[87-88-7]C6H2Cl2O4
Chloranilic acid
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[2168559-63-3]C8H10ClNO2
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021000935-A1	Hpk1 inhibitors and uses thereof	20190704
WO-2020079106-A1	Chromen-4-one derivatives for the treatment and prophylaxis of hepatitis b virus disease	20181019
CN-112839714-A	Chromen-4-one derivatives for the treatment and prevention of hepatitis B virus diseases	20181019
EP-3866929-A1	Chromen-4-one derivatives for the treatment and prophylaxis of hepatitis b virus disease	20181019
US-2021101896-A1	Monocyclic compounds useful as gpr120 modulators	20160912

Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.063328530
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	163.063328530
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7