| CAS Number | 83249-09-6 |
| Catalog Number | AG00IDA7(AGN-PC-0OISSR) |
| Chemical Name | methyl 3-phenylbicyclo[1.1.1]pentane-1-carboxylate |
| IUPAC Name | methyl 3-phenylbicyclo[1.1.1]pentane-1-carboxylate |
| InChI | InChI=1S/C13H14O2/c1-15-11(14)13-7-12(8-13,9-13)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3 |
| InChI Key | RXQCXJUDDTUYLI-UHFFFAOYSA-N |
| MDL Number | MFCD29037307 |
| Molecular Formula | C13H14O2 |
| Molecular Weight | 202.2491 |
| SMILES | O=C(OC)C23(CC(C1(=CC=CC=C1))(C2)C3) |
| Synonyms | methyl 3-phenylbicyclo[1.1.1]pentane-1-carboxylate,
83249-09-6,
Methyl-3-phenylbicyclo[1.1.1]pentane-1-carboxylate,
SCHEMBL17468122,
AKOS024255991,
ZINC196234993,
SS-5127,
3-Phenylbicyclo[1.1.1]pentane-1-carboxylic acid methyl ester,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.253g/mol |
| Monoisotopic Mass | 202.099g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number