| CAS Number | 96404-79-4 |
| Catalog Number | AG006RLV(AGN-PC-00M6NL) |
| Chemical Name | 2-Triphenylenecarboxaldehyde |
| IUPAC Name | triphenylene-2-carbaldehyde |
| InChI | InChI=1S/C19H12O/c20-12-13-9-10-18-16-7-2-1-5-14(16)15-6-3-4-8-17(15)19(18)11-13/h1-12H |
| InChI Key | NXDGVEYXRSKONY-UHFFFAOYSA-N |
| MDL Number | MFCD29089374 |
| Molecular Formula | C19H12O |
| Molecular Weight | 256.2980 |
| SMILES | O=CC1=CC=C2C3=CC=CC=C3C4=CC=CC=C4C2=C1 |
| Synonyms | 2-Triphenylenecarboxaldehyde,
96404-79-4,
2-formyltriphenylene,
ACMC-20m0vz,
SCHEMBL3774265,
CTK3F2667,
DTXSID20538653,
NXDGVEYXRSKONY-UHFFFAOYSA-N,
TRIPHENYLENE-2-CARBALDEHYDE,
ZINC39628202,
AKOS030524728,
2-triphenylenecarbaldehyde,
T3304,
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| Complexity | 363 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.304g/mol |
| Monoisotopic Mass | 256.089g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number