3-Phenyl-1H-pyrrole-2-carboxylic Acid - CAS 802052-63-7

Catalog:	BB036477
Product Name:	3-Phenyl-1H-pyrrole-2-carboxylic Acid
CAS:	802052-63-7
Synonyms:	3-phenyl-1H-pyrrole-2-carboxylic acid; 3-phenyl-1H-pyrrole-2-carboxylic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	3-phenyl-1H-pyrrole-2-carboxylic acid
Description:	3-Phenyl-1H-pyrrole-2-carboxylic Acid (CAS# 802052-63-7) is a useful research chemical.
Molecular Weight:	187.19
Molecular Formula:	C11H9NO2
Canonical SMILES:	C1=CC=C(C=C1)C2=C(NC=C2)C(=O)O
InChI:	InChI=1S/C11H9NO2/c13-11(14)10-9(6-7-12-10)8-4-2-1-3-5-8/h1-7,12H,(H,13,14)
InChI Key:	JKPQOHQTACWXPF-UHFFFAOYSA-N
LogP:	2.37990

Publication Number	Title	Priority Date
EP-3630728-A1	Inhibitors of metallo-beta-lactamases	20170526
WO-2018215799-A1	Inhibitors of metallo-beta-lactamases	20170526
US-2021137884-A1	Inhibitors of metallo-beta-lactamases	20170526
HU-1600462-A2	Preparation based on the synergistic effect of lipoic acid and selenite and its use in the prevention and treatment of cancer	20160722
BR-PI0712918-A2	1,3-disubstituted 4-methyl-1h-pyrrol-2-carboxylic acid amide and its use in the preparation of medicaments	20060609

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[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
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

Complexity:	211
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	187.06332853
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	187.06332853
Rotatable Bond Count:	2
Topological Polar Surface Area:	53.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2