| CAS Number | 167833-93-4 |
| Catalog Number | AG00AC8Z(AGN-PC-0WQWT3) |
| Chemical Name | 4-(2-Oxopyrrolidin-1-yl)benzonitrile |
| IUPAC Name | 4-(2-oxopyrrolidin-1-yl)benzonitrile |
| InChI | InChI=1S/C11H10N2O/c12-8-9-3-5-10(6-4-9)13-7-1-2-11(13)14/h3-6H,1-2,7H2 |
| InChI Key | RDKSGTMGEPJKLW-UHFFFAOYSA-N |
| MDL Number | MFCD07345520 |
| Molecular Formula | C11H10N2O |
| Molecular Weight | 186.2099 |
| SMILES | O=C1N(C2=CC=C(C#N)C=C2)CCC1 |
| Synonyms | Stomadhex,
V 3703,
V3703,
4-(2-oxopyrrolidin-1-yl)benzonitrile,
167833-93-4,
AC1OFKIF,
AC1Q6EQG,
SCHEMBL7421728,
CTK7C7836,
4-(2-Oxopyrrolizino)benzonitrile,
ZINC4218496,
KM3818,
AKOS000198222,
CJ-11597,
SC-55653,
V3703,
EN300-14697,
C11H10N2O,
ZINC04218496,
CID7131029,
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| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.214g/mol |
| Monoisotopic Mass | 186.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number