1-(5-Phenyl-3-pyrrolyl)ethanone - CAS 148403-22-9
Catalog: |
BB010297 |
Product Name: |
1-(5-Phenyl-3-pyrrolyl)ethanone |
CAS: |
148403-22-9 |
Synonyms: |
1-(5-phenyl-1H-pyrrol-3-yl)ethanone; 1-(5-phenyl-1H-pyrrol-3-yl)ethanone |
IUPAC Name: | 1-(5-phenyl-1H-pyrrol-3-yl)ethanone |
Description: | 1-(5-Phenyl-3-pyrrolyl)ethanone (CAS# 148403-22-9 ) is a useful research chemical. |
Molecular Weight: | 185.22 |
Molecular Formula: | C12H11NO |
Canonical SMILES: | CC(=O)C1=CNC(=C1)C2=CC=CC=C2 |
InChI: | InChI=1S/C12H11NO/c1-9(14)11-7-12(13-8-11)10-5-3-2-4-6-10/h2-8,13H,1H3 |
InChI Key: | ARUITDCTKODANA-UHFFFAOYSA-N |
LogP: | 2.88430 |
Publication Number | Title | Priority Date |
KR-880000974-B1 | 6- (1-acyl-1-hydroxymethyl) phenicylic acid derivative and preparation method thereof | 19850418 |
Complexity: | 208 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.084063974 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 32.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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