| CAS Number | 1334500-10-5 |
| Catalog Number | AG0072MX(AGN-PC-0AC139) |
| Chemical Name | 3-(4-Formylphenyl)picolinonitrile |
| IUPAC Name | 3-(4-formylphenyl)pyridine-2-carbonitrile |
| InChI | InChI=1S/C13H8N2O/c14-8-13-12(2-1-7-15-13)11-5-3-10(9-16)4-6-11/h1-7,9H |
| InChI Key | RLAMFEAZUNLUIV-UHFFFAOYSA-N |
| MDL Number | MFCD20231495 |
| Molecular Formula | C13H8N2O |
| Molecular Weight | 208.2154 |
| SMILES | O=Cc1ccc(cc1)c1cccnc1C#N |
| Synonyms | 3-(4-Formylphenyl)picolinonitrile,
1334500-10-5,
ACMC-209bsh,
CTK8B0197,
DTXSID40716678,
ANW-19551,
MFCD20231495,
ZINC74938291,
AKOS015908225,
3-(4-formylphenyl)pyridine-2-carbonitrile,
AJ-121550,
AX8243161,
TC-108296,
Z9714,
B-7167,
I14-25051,
C13H8N2O,
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| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.22g/mol |
| Monoisotopic Mass | 208.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.8A^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