3-Acetyl-1,2,5-trimethylpyrrole - CAS 90433-85-5
Catalog: |
BB075471 |
Product Name: |
3-Acetyl-1,2,5-trimethylpyrrole |
CAS: |
90433-85-5 |
Synonyms: |
1-(1,2,5-Trimethyl-1H-pyrrol-3-yl)ethanone; 1-(1,2,5-trimethylpyrrol-3-yl)ethanone; 3-Acetyl-1,2,5-trimethylpyrrole; Ethanone, 1-(1,2,5-trimethyl-1H-pyrrol-3-yl)- |
IUPAC Name: | 1-(1,2,5-trimethylpyrrol-3-yl)ethanone |
Molecular Weight: | 151.21 |
Molecular Formula: | C9H13NO |
Canonical SMILES: | CC1=CC(=C(N1C)C)C(=O)C |
InChI: | InChI=1S/C9H13NO/c1-6-5-9(8(3)11)7(2)10(6)4/h5H,1-4H3 |
InChI Key: | AKJLJJDUCFNCCV-UHFFFAOYSA-N |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.099714038 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 22Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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