3-Acetyl-1,2-dimethylpyrrole - CAS 16806-91-0
Catalog: |
BB075475 |
Product Name: |
3-Acetyl-1,2-dimethylpyrrole |
CAS: |
16806-91-0 |
Synonyms: |
1-(1,2-Dimethyl-1H-pyrrol-3-yl)ethanone; Ethanone, 1-(1,2-dimethyl-1H-pyrrol-3-yl)- (9CI); 1-(1,2-DIMETHYLPYRROL-3-YL)ETHANONE; 1-(1,2-dimethyl-1H-pyrrol-3-yl)ethan-1-one |
IUPAC Name: | 1-(1,2-dimethylpyrrol-3-yl)ethanone |
Molecular Weight: | 137.18 |
Molecular Formula: | C8H11NO |
Canonical SMILES: | CC1=C(C=CN1C)C(=O)C |
InChI: | InChI=1S/C8H11NO/c1-6-8(7(2)10)4-5-9(6)3/h4-5H,1-3H3 |
InChI Key: | XROKFQCVNYXMBJ-UHFFFAOYSA-N |
Complexity: | 144 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 137.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 137.084063974 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 22Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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