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 |
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 |
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 |
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 |
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 |
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Pyrroles
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