3-Nitro-4-(1-pyrrolidinyl)benzoic Acid - CAS 40832-81-3

Catalog:	BB024677
Product Name:	3-Nitro-4-(1-pyrrolidinyl)benzoic Acid
CAS:	40832-81-3
Synonyms:	3-nitro-4-(1-pyrrolidinyl)benzoic acid; 3-nitro-4-pyrrolidin-1-ylbenzoic acid

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	3-nitro-4-pyrrolidin-1-ylbenzoic acid
Description:	3-Nitro-4-(1-pyrrolidinyl)benzoic Acid (CAS# 40832-81-3) is a useful research chemical.
Molecular Weight:	236.22
Molecular Formula:	C11H12N2O4
Canonical SMILES:	C1CCN(C1)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]
InChI:	InChI=1S/C11H12N2O4/c14-11(15)8-3-4-9(10(7-8)13(16)17)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,14,15)
InChI Key:	MKTQASLRSMDHRE-UHFFFAOYSA-N
Boiling Point:	442.8 °C at 760 mmHg
Density:	1.403 g/cm³
MDL:	MFCD02112810
LogP:	2.48140

Publication Number	Title	Priority Date
US-2017281611-A1	Quinolines and their use for treating endoplasmic reticulum stress-caused diseases	20140829
WO-2016032569-A1	Quinolines and their use for treating endoplasmic reticulum stress-caused diseases	20140829
AU-2008306886-A1	Oxadiazole diaryl compounds	20071004
AU-2008306886-B2	Oxadiazole diaryl compounds	20071004
CA-2696829-A1	Oxadiazole diaryl compounds	20071004

PMID	Publication Date	Title	Journal
17931863	20071201	3-Nitro-4-amino benzoic acids and 6-amino nicotinic acids are highly selective agonists of GPR109b	Bioorganic & medicinal chemistry letters

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Related Functional Groups

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
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

Complexity:	309
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	236.07970687
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	236.07970687
Rotatable Bond Count:	2
Topological Polar Surface Area:	86.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9