| CAS Number | 5325-95-1 |
| Catalog Number | AG01AC8N(AGN-PC-0JN9FH) |
| Chemical Name | 2-Cyanoethyl benzoate |
| IUPAC Name | 2-cyanoethyl benzoate |
| InChI | InChI=1S/C10H9NO2/c11-7-4-8-13-10(12)9-5-2-1-3-6-9/h1-3,5-6H,4,8H2 |
| InChI Key | HABHYLALRAEBKY-UHFFFAOYSA-N |
| MDL Number | MFCD26407916 |
| Molecular Formula | C10H9NO2 |
| Molecular Weight | 175.1840 |
| NSC Number | 237 |
| SMILES | O=C(C1=CC=CC=C1)OCCC#N |
| Synonyms | 2-cyanoethyl benzoate,
5325-95-1,
NSC237,
cyanoethyl benzoate,
HYDRACRYLONITRILE, BENZOATE,
AC1L56BA,
AC1Q66HN,
SCHEMBL7761107,
CTK4J7379,
NSC-237,
ZINC1555376,
AKOS029458701,
MCULE-6088189148,
Z54336333,
AR-1E0864,
CID219225,
57583-72-9,
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| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.187g/mol |
| Monoisotopic Mass | 175.063g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 50.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number