| CAS Number | 1551-08-2 |
| Catalog Number | AG007FBX(AGN-PC-0JSDJL) |
| Chemical Name | 2-propyl-1H-pyrrole |
| IUPAC Name | 2-propyl-1H-pyrrole |
| InChI | InChI=1S/C7H11N/c1-2-4-7-5-3-6-8-7/h3,5-6,8H,2,4H2,1H3 |
| InChI Key | BPPNDUBGLQQQBY-UHFFFAOYSA-N |
| MDL Number | MFCD19216841 |
| Molecular Formula | C7H11N |
| Molecular Weight | 109.1689 |
| SMILES | CCCC1NC=CC=1 |
| Synonyms | 1H-Pyrrole, 2-propyl-,
1551-08-2,
2-propyl-1H-pyrrole,
propylpyrrole,
AC1LB1WA,
SCHEMBL588497,
CTK0E7717,
DTXSID20335841,
AKOS006351684,
I14-107637,
CID527559,
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| Complexity | 61.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 109.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 109.172g/mol |
| Monoisotopic Mass | 109.089g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 15.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
Lot Number