1-Methyl-2-pyrrolecarboxylic acid - CAS 6973-60-0

Catalog:	BB033953
Product Name:	1-Methyl-2-pyrrolecarboxylic acid
CAS:	6973-60-0
Synonyms:	1-methylpyrrole-2-carboxylic acid

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1-methylpyrrole-2-carboxylic acid
Description:	1-Methyl-2-pyrrolecarboxylic acid (CAS# 6973-60-0) is a useful research chemical.
Molecular Weight:	125.13
Molecular Formula:	C6H7NO2
Canonical SMILES:	CN1C=CC=C1C(=O)O
InChI:	InChI=1S/C6H7NO2/c1-7-4-2-3-5(7)6(8)9/h2-4H,1H3,(H,8,9)
InChI Key:	ILAOVOOZLVGAJF-UHFFFAOYSA-N
Boiling Point:	276.6 °C at 760 mmHg
Density:	1.19 g/cm³
Appearance:	Solid
MDL:	MFCD00003088
LogP:	0.72330

Publication Number	Title	Priority Date
CN-112083100-A	Method for simultaneously detecting multiple volatile components in pepper or pepper product	20200911
CN-111659436-A	Electronegative heteroatom-transition metal co-doped carbon-based non-noble metal electrocatalyst and preparation method thereof	20200519
CN-112812111-A	Benzothiazole compound and medical application thereof	20200303
WO-2021175234-A1	Benzothiazole compound and medical use	20200303
WO-2021158707-A1	Methods and compounds for the treatment of genetic disease	20200203

PMID	Publication Date	Title	Journal
19719122	20091002	Fused ring construction around pyrrole, indole, and related compounds via palladium-catalyzed oxidative coupling with alkynes	The Journal of organic chemistry
19670901	20090903	Experimental and computational study on the molecular energetics of 2-pyrrolecarboxylic acid and 1-methyl-2-pyrrolecarboxylic acid	The journal of physical chemistry. A
16124752	20050801	Methylpyrrole tropane alkaloids from the bark of Erythroxylum vacciniifolium	Journal of natural products
14661759	20031205	On-line identification of tropane alkaloids from Erythroxylum vacciniifolium by liquid chromatography-UV detection-multiple mass spectrometry and liquid chromatography-nuclear magnetic resonance spectrometry	Journal of chromatography. A

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

Pyrroles

[168102-05-4]
Ethyl 3-Fluoropyrrole-2-carboxylate
[1263208-95-2]
Ethyl 3-methyl-4-(thiophene-2-carbonyl)-1H-pyrrole-2-carboxylate
[1175521-35-3]
Farinomalein
[2368945-96-2]
N-(3-bromo-1H-pyrrolo[2,3-c]pyridin-5-yl)acetamide
[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
[2973-17-3]
N-Allylmaleimide

GHS Hazard Statement:	H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, 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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	125.047678466
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5