| CAS Number | 411208-03-2 |
| Catalog Number | AG003FB6(AGN-PC-03DBD5) |
| Chemical Name | 2,2-Dimethyl-1-(1H-pyrrol-1-yl)propan-1-one |
| IUPAC Name | 2,2-dimethyl-1-pyrrol-1-ylpropan-1-one |
| InChI | InChI=1S/C9H13NO/c1-9(2,3)8(11)10-6-4-5-7-10/h4-7H,1-3H3 |
| InChI Key | NBCLWNCJSKCWIK-UHFFFAOYSA-N |
| MDL Number | MFCD12756449 |
| Molecular Formula | C9H13NO |
| Molecular Weight | 151.2056 |
| SMILES | O=C(C(C)(C)C)N1C=CC=C1 |
| Synonyms | 2,2-Dimethyl-1-(1H-pyrrol-1-yl)propan-1-one,
411208-03-2,
1-Trimethylacetylpyrrole,
1-Pivaloyl-1H-pyrrole,
SCHEMBL12088072,
DTXSID70616011,
ANW-53603,
FCH923796,
MFCD12756449,
ZINC38537840,
AKOS006346587,
AJ-96247,
CJ-19505,
AX8229418,
ST2403565,
TR-036745,
V5839,
B-3414,
I11-994,
C9H13NO,
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| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 151.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 151.209g/mol |
| Monoisotopic Mass | 151.1g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 22A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number