| CAS Number | 99071-55-3 |
| Catalog Number | AG003G96(AGN-PC-0WQULA) |
| Chemical Name | 2-[4-(Cyanomethyl)phenyl]acetamide |
| IUPAC Name | 2-[4-(cyanomethyl)phenyl]acetamide |
| InChI | InChI=1S/C10H10N2O/c11-6-5-8-1-3-9(4-2-8)7-10(12)13/h1-4H,5,7H2,(H2,12,13) |
| InChI Key | QNLWFGMDHQLLHX-UHFFFAOYSA-N |
| MDL Number | MFCD09038508 |
| Molecular Formula | C10H10N2O |
| Molecular Weight | 174.1992 |
| SMILES | O=C(N)CC1=CC=C(CC#N)C=C1 |
| Synonyms | 2-[4-(Cyanomethyl)phenyl]acetamide,
99071-55-3,
ACMC-209sbn,
4-(Cyanomethyl)benzeneacetamide,
CTK5I0201,
DTXSID20558997,
ANW-40977,
MFCD09038508,
ZINC44069421,
TC-129722,
C1748,
2-[4-(Cyanomethyl)phenyl]acetamide, AldrichCPR,
2-[4- PHENYL]ACETAMIDE,
2-(4-(cyanomethyl)phenyl)acetamide,
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| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.203g/mol |
| Monoisotopic Mass | 174.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number