| CAS Number | 1087792-37-7 |
| Catalog Number | AG019MXJ(AGN-PC-0WO8QS) |
| Chemical Name | 2-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)acetonitrile |
| IUPAC Name | 2-(3-formyl-2,5-dimethylpyrrol-1-yl)acetonitrile |
| InChI | InChI=1S/C9H10N2O/c1-7-5-9(6-12)8(2)11(7)4-3-10/h5-6H,4H2,1-2H3 |
| InChI Key | DQYBGDNUCFYOCC-UHFFFAOYSA-N |
| MDL Number | MFCD11099578 |
| Molecular Formula | C9H10N2O |
| Molecular Weight | 162.1885 |
| SMILES | CC1N(CC#N)C(C)=C(C=O)C=1 |
| Synonyms | 2-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)acetonitrile,
(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)acetonitrile,
1087792-37-7,
AC1Q2IIO,
CTK7D0521,
ZINC32627350,
AKOS009318628,
MCULE-4314920470,
NE50271,
EN300-38849,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.192g/mol |
| Monoisotopic Mass | 162.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number