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22748-16-9 | 4,4-Dimethyl-2-cyclopenten-1-one
CAS No: 22748-16-9 Catalog No: AG003KFQ MDL No:MFCD00075081
Product Description
Catalog Number:
AG003KFQ
Chemical Name:
4,4-Dimethyl-2-cyclopenten-1-one
CAS Number:
22748-16-9
Molecular Formula:
C7H10O
Molecular Weight:
110.1537
MDL Number:
MFCD00075081
IUPAC Name:
4,4-dimethylcyclopent-2-en-1-one
InChI:
InChI=1S/C7H10O/c1-7(2)4-3-6(8)5-7/h3-4H,5H2,1-2H3
InChI Key:
YVFVCSCZJJGBAK-UHFFFAOYSA-N
SMILES:
O=C1C=CC(C1)(C)C
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.073g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
110.156g/mol
Monoisotopic Mass:
110.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Structure-activity relationships of alpha, beta-unsaturated ketones as assessed by their cytotoxicity against oral tumor cells. | Anticancer research 20040101 |
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