| CAS Number | 1115084-83-7 |
| Catalog Number | AG00945Q(AGN-PC-0WANTL) |
| Chemical Name | 1-[(2-Propynyloxy)methyl]pyrene |
| IUPAC Name | 1-(prop-2-ynoxymethyl)pyrene |
| InChI | InChI=1S/C20H14O/c1-2-12-21-13-17-9-8-16-7-6-14-4-3-5-15-10-11-18(17)20(16)19(14)15/h1,3-11H,12-13H2 |
| InChI Key | PHLBHJYVJNAPAY-UHFFFAOYSA-N |
| MDL Number | MFCD28384153 |
| Molecular Formula | C20H14O |
| Molecular Weight | 270.3246 |
| SMILES | C#CCOCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1 |
| Synonyms | 1-[(2-Propynyloxy)methyl]pyrene,
1115084-83-7,
1-(Propargyloxymethyl)pyrene,
1-[(Propargyloxy)methyl]pyrene,
SCHEMBL20699461,
MFCD28384153,
ZINC263617718,
P2226,
|
| Complexity | 419 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.331g/mol |
| Monoisotopic Mass | 270.104g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number