| CAS Number | 932186-29-3 |
| Catalog Number | AG00GVX8(AGN-PC-0W2SXS) |
| Chemical Name | 1-(Tetrahydro-2-furanylmethyl)-1H-pyrrole-2-carbaldehyde |
| IUPAC Name | 1-(oxolan-2-ylmethyl)pyrrole-2-carbaldehyde |
| InChI | InChI=1S/C10H13NO2/c12-8-9-3-1-5-11(9)7-10-4-2-6-13-10/h1,3,5,8,10H,2,4,6-7H2 |
| InChI Key | SXUBDVNYZHNQCW-UHFFFAOYSA-N |
| MDL Number | MFCD09674984 |
| Molecular Formula | C10H13NO2 |
| Molecular Weight | 179.2157 |
| SMILES | N1(CC2CCCO2)C=CC=C1C=O |
| Synonyms | 932186-29-3,
1-(TETRAHYDRO-2-FURANYLMETHYL)-1H-PYRROLE-2-CARBALDEHYDE,
1-((tetrahydrofuran-2-yl)methyl)-1H-pyrrole-2-carbaldehyde,
1-(tetrahydrofuran-2-ylmethyl)-1H-pyrrole-2-carbaldehyde,
DTXSID50589734,
4591AH,
BBL031364,
MFCD09674984,
STK802709,
AKOS000101382,
AKOS022060284,
MCULE-5125520057,
Y-5304,
1-[(Oxolan-2-yl)methyl]-1H-pyrrole-2-carbaldehyde,
C10H13NO2,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.219g/mol |
| Monoisotopic Mass | 179.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 31.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number