Quinaldic acid - CAS 93-10-7

Catalog:	BB040774
Product Name:	Quinaldic acid
CAS:	93-10-7
Synonyms:	quinoline-2-carboxylic acid

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Computed Properties

IUPAC Name:	quinoline-2-carboxylic acid
Description:	Quinaldic acid (CAS# 93-10-7) is a useful research chemical.
Molecular Weight:	173.17
Molecular Formula:	C10H7NO2
Canonical SMILES:	C1=CC=C2C(=C1)C=CC(=N2)C(=O)O
InChI:	InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13)
InChI Key:	LOAUVZALPPNFOQ-UHFFFAOYSA-N
Boiling Point:	247-250 °C
Melting Point:	156 °C
Density:	1.339 g/cm³
Appearance:	Off-white or yellow powder
MDL:	MFCD00006752
LogP:	1.93300

Publication Number	Title	Priority Date
CN-113307773-A	6-bromo-3-methoxy-1-phenyl-1H-indazole and synthetic method and application thereof	20210617
CN-113350342-A	Application of kynurenine in preparation of medicine for treating osteoporosis related diseases	20210601
CN-113307790-A	Preparation method of 3-quinolyl-5-trifluoromethyl substituted 1,2, 4-triazole compound	20210524
CN-113248511-A	Synthesis method of pyrano [2,3-b ] quinoline alkaloid	20210520
CN-113180038-A	Weeding slow-release agent for rice and use method thereof	20210420

PMID	Publication Date	Title	Journal
23208736	20121207	How thiostrepton was made in the laboratory	Angewandte Chemie (International ed. in English)
22730235	20120814	Advanced luminescent materials based on organoboron polymers	Macromolecular rapid communications
22520750	20120420	Insights into quinaldic acid moiety formation in thiostrepton biosynthesis facilitating fluorinated thiopeptide generation	Chemistry & biology
22097883	20120417	Radical-mediated enzymatic methylation: a tale of two SAMS	Accounts of chemical research
22392498	20120301	Potato- an important source of nutritional kynurenic acid	Plant foods for human nutrition (Dordrecht, Netherlands)

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Related Functional Groups

Carbonyl Compounds

[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[438616-66-1]
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide
[17432-37-0]
2,3,5,6-Tetramethylbenzaldehyde

Quinaldines

[1499622-55-7]
2-chloro-6-fluoro-8-iodoquinoline
[6628-04-2]
4-Amino-2-methylquinoline

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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:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.047678466
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	173.047678466
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6