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115825-49-5 | Cyclopentanedione, dimethyl- (9CI)
CAS No: 115825-49-5 Catalog No: AG000GXQ MDL No:MFCD20485282
Product Description
Catalog Number:
AG000GXQ
Chemical Name:
Cyclopentanedione, dimethyl- (9CI)
CAS Number:
115825-49-5
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
MDL Number:
MFCD20485282
IUPAC Name:
3,3-dimethylcyclopentane-1,2-dione
InChI:
InChI=1S/C7H10O2/c1-7(2)4-3-5(8)6(7)9/h3-4H2,1-2H3
InChI Key:
GDZWPCHPRKDQAK-UHFFFAOYSA-N
SMILES:
O=C1CC(CC1=O)(C)C
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.155g/mol
Monoisotopic Mass:
126.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Synthesis, checkpoint kinase 1 inhibitory properties and in vitro antiproliferative activities of new pyrrolocarbazoles. | Bioorganic & medicinal chemistry 20080415 |
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