4-Methylpyrrole-2-carboxylic acid - CAS 18711-59-6

Catalog:	BB014396
Product Name:	4-Methylpyrrole-2-carboxylic acid
CAS:	18711-59-6
Synonyms:	4-methyl-1H-pyrrole-2-carboxylic acid

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Computed Properties

IUPAC Name:	4-methyl-1H-pyrrole-2-carboxylic acid
Description:	4-Methylpyrrole-2-carboxylic acid (CAS# 18711-59-6) is a reactant for synthesis of substituted 2,2'-bipyrroles.
Molecular Weight:	125.13
Molecular Formula:	C6H7NO2
Canonical SMILES:	CC1=CNC(=C1)C(=O)O
InChI:	InChI=1S/C6H7NO2/c1-4-2-5(6(8)9)7-3-4/h2-3,7H,1H3,(H,8,9)
InChI Key:	YXYAHRAFINYJPL-UHFFFAOYSA-N
Boiling Point:	326.3 °C at 760 mmHg
Purity:	98 %
Density:	1.295 g/cm³
Appearance:	Solid
MDL:	MFCD03839931
LogP:	1.02130

Publication Number	Title	Priority Date
CN-111194746-A	Insecticidal application of pyrrole-2-carboxylic acid derivative	20200116
KR-20200044269-A	Novel N-(isopropyl-triazolyl)pyridinyl)-heteroaryl-carboxamide derivatives and use thereof	20181018
WO-2020080741-A1	Novel n-(isopropyl-triazolyl)pyridinyl)-heteroaryl-carboxamide derivatives and use thereof	20181018
CN-112839936-A	Novel N- (isopropyl-triazolyl) pyridyl) -heteroaryl-carboxamide derivatives and uses thereof	20181018
EP-3867243-A1	Novel n-(isopropyl-triazolyl)pyridinyl)-heteroaryl-carboxamide derivatives and use thereof	20181018

PMID	Publication Date	Title	Journal
15843501	20050601	A macroglomerulus in the antennal lobe of leaf-cutting ant workers and its possible functional significance	Chemical senses

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Related Functional Groups

Pyrroles

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[31894-56-1]
Ethyl 5-methyl-3-(thiophen-2-yl)-1H-pyrrole-2-carboxylate
[1175521-35-3]
Farinomalein
[1290536-79-6]
1,1-Dimethylethyl N-[(5S,8S,10aR)-8-[[(diphenylmethyl)amino]carbonyl]decahydro-3-(3-methyl-1-oxobutyl)-6-oxopyrrolo[1,2-a][1,5]diazocin-5-yl]carbamate
[473401-82-0]
1-(tert-Butyl) 2,5-dimethyl 1H-pyrrole-1,2,5-tricarboxylate
[17106-15-9]
5-Acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid

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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:	124
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	125.047678466
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	125.047678466
Rotatable Bond Count:	1
Topological Polar Surface Area:	53.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9