4-Methoxyindolin-2-one - CAS 7699-17-4

Catalog:	BB035775
Product Name:	4-Methoxyindolin-2-one
CAS:	7699-17-4
Synonyms:	4-methoxy-1,3-dihydroindol-2-one; 4-methoxy-1,3-dihydroindol-2-one

Technical Data

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Computed Properties

IUPAC Name:	4-methoxy-1,3-dihydroindol-2-one
Description:	4-Methoxyindolin-2-one (CAS# 7699-17-4) is a useful research chemical.
Molecular Weight:	163.17
Molecular Formula:	C9H9NO2
Canonical SMILES:	COC1=CC=CC2=C1CC(=O)N2
InChI:	InChI=1S/C9H9NO2/c1-12-8-4-2-3-7-6(8)5-9(11)10-7/h2-4H,5H2,1H3,(H,10,11)
InChI Key:	WINOEVFNWAEXIF-UHFFFAOYSA-N
Boiling Point:	355.4 °C at 760 mmHg
Density:	1.208 g/cm³
Appearance:	Off-white solid
MDL:	MFCD07368221
LogP:	1.32780

Publication Number	Title	Priority Date
US-10618897-B2	Spiroindolinones as DDR1 inhibitors	20160208
US-2019071444-A1	Spiroindolinones as ddr1 inhibitors	20160208
EP-3414247-B1	Spiroindolinones as ddr1 inhibitors	20160208
EP-3252038-A1	N-benzoate group substituted benzopyrroline-2-one derivative and use thereof	20150128
WO-2016119641-A1	N-benzoate group substituted benzopyrroline-2-one derivative and use thereof	20150128

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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+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, 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:	163.063328530
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