| CAS Number | 120777-22-2 |
| Catalog Number | AG01AM7X(AGN-PC-0NCUPS) |
| Chemical Name | 1-Phenyl-1H-pyrrole-3-carbaldehyde |
| IUPAC Name | 1-phenylpyrrole-3-carbaldehyde |
| InChI | InChI=1S/C11H9NO/c13-9-10-6-7-12(8-10)11-4-2-1-3-5-11/h1-9H |
| InChI Key | BLAZTBDCCWAUMD-UHFFFAOYSA-N |
| MDL Number | MFCD06797716 |
| Molecular Formula | C11H9NO |
| Molecular Weight | 171.1953 |
| SMILES | C1(=CC=CC=C1)N1C=C(C=C1)C=O |
| Synonyms | 1-phenyl-1H-pyrrole-3-carbaldehyde,
120777-22-2,
1H-Pyrrole-3-carboxaldehyde, 1-phenyl-,
BLAZTBDCCWAUMD-UHFFFAOYSA-N,
1-phenylpyrrole-3-carbaldehyde,
1-phenylpyrrole-3-aldehyde,
SCHEMBL1680730,
1-phenyl-3-pyrrolecarboxaldehyde,
1-phenyl pyrrole-3-carboxaldehyde,
SP708,
ZINC48508561,
AKOS000113856,
CID10920962,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.199g/mol |
| Monoisotopic Mass | 171.068g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 22A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number