| CAS Number | 39545-99-8 |
| Catalog Number | AG00D42T(AGN-PC-0NBWK1) |
| Chemical Name | 2-Phenylcyclopent-2-en-1-one |
| IUPAC Name | 2-phenylcyclopent-2-en-1-one |
| InChI | InChI=1S/C11H10O/c12-11-8-4-7-10(11)9-5-2-1-3-6-9/h1-3,5-7H,4,8H2 |
| InChI Key | VHRGUJICHLPTDW-UHFFFAOYSA-N |
| MDL Number | MFCD24687943 |
| Molecular Formula | C11H10O |
| Molecular Weight | 158.1965 |
| SMILES | O=C1C(C2=CC=CC=C2)=CCC1 |
| Synonyms | 2-phenylcyclopent-2-en-1-one,
39545-99-8,
2-Phenylcyclopentene-3-one,
2-Cyclopenten-1-one, 2-phenyl-,
1-Phenylcyclopentene-5-one,
2-phenyl-2-cyclopenten-1-one,
SCHEMBL11133453,
2-phenyl-cyclopent-2-en-1-one,
CTK1B3861,
DTXSID90446337,
ZINC34540146,
CID10866606,
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| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.2g/mol |
| Monoisotopic Mass | 158.073g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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