| CAS Number | 89686-22-6 |
| Catalog Number | AG0042XM(AGN-PC-03X84P) |
| Chemical Name | 1-propyl-1H-pyrrole-2-carbaldehyde |
| IUPAC Name | 1-propylpyrrole-2-carbaldehyde |
| InChI | InChI=1S/C8H11NO/c1-2-5-9-6-3-4-8(9)7-10/h3-4,6-7H,2,5H2,1H3 |
| InChI Key | ZJVXXKFZMHRLLH-UHFFFAOYSA-N |
| MDL Number | MFCD07364519 |
| Molecular Formula | C8H11NO |
| Molecular Weight | 137.1790 |
| SMILES | CCCN1C(C=O)=CC=C1 |
| Synonyms | 1-propyl-1H-pyrrole-2-carbaldehyde,
89686-22-6,
1H-Pyrrole-2-carboxaldehyde, 1-propyl-,
ACMC-20esql,
AC1Q2XWB,
SCHEMBL9225514,
CTK2J1997,
1-n-propylpyrrole-2-carbaldehyde,
DTXSID80629576,
ZJVXXKFZMHRLLH-UHFFFAOYSA-N,
ZINC20216298,
AKOS004120443,
MCULE-9144781738,
EN300-51950,
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| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 137.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 137.182g/mol |
| Monoisotopic Mass | 137.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 22A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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