| CAS Number | 86454-35-5 |
| Catalog Number | AG004N02(AGN-PC-0WB5BO) |
| Chemical Name | 1-(3-methylphenyl)-1H-pyrrole-2-carbaldehyde |
| IUPAC Name | 1-(3-methylphenyl)pyrrole-2-carbaldehyde |
| InChI | InChI=1S/C12H11NO/c1-10-4-2-5-11(8-10)13-7-3-6-12(13)9-14/h2-9H,1H3 |
| InChI Key | RALCOJSRRRTXKX-UHFFFAOYSA-N |
| MDL Number | MFCD02664904 |
| Molecular Formula | C12H11NO |
| Molecular Weight | 185.2218 |
| SMILES | N1(C=CC=C1C=O)C1C=CC=C(C)C=1 |
| Synonyms | 1-(3-methylphenyl)-1H-pyrrole-2-carbaldehyde,
86454-35-5,
1-(m-Tolyl)-1H-pyrrole-2-carbaldehyde,
AC1MCLA1,
CTK5F6668,
DTXSID30378224,
ZINC1527087,
BBL008163,
MFCD02664904,
STK118819,
1-m-Tolyl-1H-pyrrole-2-carbaldehyde,
AKOS000101238,
MCULE-2877090578,
1-(3-methylphenyl)pyrrole-2-carbaldehyde,
AJ-26539,
AS-46755,
BB 0249267,
W-9652,
ZINC01527087,
CID2772335,
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| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.226g/mol |
| Monoisotopic Mass | 185.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 22A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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