| CAS Number | 54609-19-7 |
| Catalog Number | AG01A9UU |
| Chemical Name | 2,5-Dimethyl-1-(prop-2-yn-1-yl)-1H-pyrrole |
| IUPAC Name | 2,5-dimethyl-1-prop-2-ynylpyrrole |
| InChI | InChI=1S/C9H11N/c1-4-7-10-8(2)5-6-9(10)3/h1,5-6H,7H2,2-3H3 |
| InChI Key | AJIBIWLTIDNRGY-UHFFFAOYSA-N |
| MDL Number | MFCD12090927 |
| Molecular Formula | C9H11N |
| Molecular Weight | 133.1903 |
| SMILES | CC1N(CC#C)C(C)=CC=1 |
| Synonyms | 2,5-dimethyl-1-(prop-2-yn-1-yl)-1H-pyrrole,
54609-19-7,
AC1Q2JKG,
MFCD12090927,
ZINC36333683,
AKOS008137245,
MCULE-5631995952,
NE39265,
EN300-66223,
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| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 133.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 133.194g/mol |
| Monoisotopic Mass | 133.089g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 4.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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