3-Acetyl-1-methylpyrrole - CAS 932-62-7
Catalog: |
BB040823 |
Product Name: |
3-Acetyl-1-methylpyrrole |
CAS: |
932-62-7 |
Synonyms: |
1-(1-methylpyrrol-3-yl)ethanone |
IUPAC Name: | 1-(1-methylpyrrol-3-yl)ethanone |
Description: | 3-Acetyl-1-methylpyrrole (CAS# 932-62-7) is a useful research chemical. |
Molecular Weight: | 123.15 |
Molecular Formula: | C7H9NO |
Canonical SMILES: | CC(=O)C1=CN(C=C1)C |
InChI: | InChI=1S/C7H9NO/c1-6(9)7-3-4-8(2)5-7/h3-5H,1-2H3 |
InChI Key: | SZYIVZGXCXFXDN-UHFFFAOYSA-N |
Boiling Point: | 148-150 °C |
Density: | 1.038 g/cm3 |
MDL: | MFCD00011563 |
LogP: | 1.22770 |
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 |
WO-2021100699-A1 | Black particles, black coating material, coating film, and black matrix for color filters | 20191118 |
WO-2020139001-A1 | Pharmaceutical composition for promotion of intracellular atp production | 20181227 |
KR-20200081313-A | A pharmaceutical composition for promoting intracellular ATP production | 20181227 |
AU-2016335043-A1 | Compounds for treatment of cancer and epigenetics | 20151009 |
EP-3371151-A1 | Compounds for treatment of cancer and epigenetics | 20151009 |
PMID | Publication Date | Title | Journal |
20141148 | 20100304 | Calorimetric and computational study of 2- and 3-acetyl-1-methylpyrrole isomers | The journal of physical chemistry. B |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 123.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 123.068413911 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 22 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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Pyrroles
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