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10472-24-9 | Methyl 2-cyclopentanonecarboxylate
CAS No: 10472-24-9 Catalog No: AG003RNQ MDL No:MFCD00001411
Product Description
Catalog Number:
AG003RNQ
Chemical Name:
Methyl 2-cyclopentanonecarboxylate
CAS Number:
10472-24-9
Molecular Formula:
C7H10O3
Molecular Weight:
142.1525
MDL Number:
MFCD00001411
IUPAC Name:
methyl 2-oxocyclopentane-1-carboxylate
InChI:
InChI=1S/C7H10O3/c1-10-7(9)5-3-2-4-6(5)8/h5H,2-4H2,1H3
InChI Key:
PZBBESSUKAHBHD-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCCC1=O
EC Number:
233-962-7
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.154g/mol
Monoisotopic Mass:
142.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Asymmetric Diels-Alder and Ficini reactions with alkylidene β-ketoesters catalyzed by chiral ruthenium PNNP complexes: mechanistic insight. | Journal of the American Chemical Society 20120118 |
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