| CAS Number | 35250-67-0 |
| Catalog Number | AG01AJ9D(AGN-PC-0NGI86) |
| Chemical Name | 1-[(thiophen-2-yl)methyl]-1H-pyrrole-2-carbaldehyde |
| IUPAC Name | 1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde |
| InChI | InChI=1S/C10H9NOS/c12-8-9-3-1-5-11(9)7-10-4-2-6-13-10/h1-6,8H,7H2 |
| InChI Key | DTVPJDHHPRORAV-UHFFFAOYSA-N |
| MDL Number | MFCD12181365 |
| Molecular Formula | C10H9NOS |
| Molecular Weight | 191.2496 |
| SMILES | O=CC1N(CC2SC=CC=2)C=CC=1 |
| Synonyms | 1-(thiophen-2-ylmethyl)-1H-pyrrole-2-carbaldehyde,
35250-67-0,
SCHEMBL11334754,
ZINC35431335,
AKOS009519243,
NE24268,
EN300-80108,
1-[(Thiophen-2-yl)methyl]-1H-pyrrole-2-carbaldehyde,
CID11137952,
1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.040485g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.25g/mol |
| Monoisotopic Mass | 191.040485g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number