2,3-Bis[4-(1,1-dimethylethyl)phenyl]-2-cyclopropen-1-one - CAS 28480-27-5
Catalog: |
BB072983 |
Product Name: |
2,3-Bis[4-(1,1-dimethylethyl)phenyl]-2-cyclopropen-1-one |
CAS: |
28480-27-5 |
Synonyms: |
2,3-Bis[4-(1,1-dimethylethyl)phenyl]-2-cyclopropen-1-one |
IUPAC Name: | 2,3-bis(4-tert-butylphenyl)cycloprop-2-en-1-one |
Molecular Weight: | 318.45 |
Molecular Formula: | C23H26O |
Canonical SMILES: | CC(C)(C)C1=CC=C(C=C1)C2=C(C2=O)C3=CC=C(C=C3)C(C)(C)C |
InChI: | InChI=1S/C23H26O/c1-22(2,3)17-11-7-15(8-12-17)19-20(21(19)24)16-9-13-18(14-10-16)23(4,5)6/h7-14H,1-6H3 |
InChI Key: | HNAISDRWPIORDV-UHFFFAOYSA-N |
Complexity: | 463 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 318.198365449 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 318.198365449 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 17.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.6 |
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