2-Methylquinoline-4-carboxylic Acid - CAS 634-38-8

Catalog:	BB032147
Product Name:	2-Methylquinoline-4-carboxylic Acid
CAS:	634-38-8
Synonyms:	2-methyl-4-quinolinecarboxylic acid; 2-methylquinoline-4-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	2-methylquinoline-4-carboxylic acid
Description:	2-Methylquinoline-4-carboxylic Acid (CAS# 634-38-8) is used in preparation of dihydro pyrano pyrazol one derivatives as antitumor agents.
Molecular Weight:	187.19
Molecular Formula:	C11H9NO2
Canonical SMILES:	CC1=NC2=CC=CC=C2C(=C1)C(=O)O
InChI:	InChI=1S/C11H9NO2/c1-7-6-9(11(13)14)8-4-2-3-5-10(8)12-7/h2-6H,1H3,(H,13,14)
InChI Key:	UIDHNPTVQFNWOJ-UHFFFAOYSA-N
Boiling Point:	344.5 °C at 760 mmHg
Density:	1.285 g/cm³
LogP:	2.24140

Publication Number	Title	Priority Date
CN-111574530-A	ACC inhibitor and medical application thereof	20200421
WO-2021191359-A1	Monoacylglycerol lipase modulators	20200326
CN-109467549-A	Quinoline replaces chalcone compounds, preparation method and the usage	20181207
CN-109467549-B	Quinoline-substituted chalcone compound, preparation method and application thereof	20181207
CN-109608435-A	Quinoline substituent indole compound, preparation method and the usage	20181130

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	229
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	187.063328530
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	187.063328530
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4