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Home Other Building Blocks 2-Acetylcyclopentanone

2-Acetylcyclopentanone

CAS No.:
1670-46-8
Catalog Number:
AG003GBG
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
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Product Description
Catalog Number:
AG003GBG
Chemical Name:
2-Acetylcyclopentanone
CAS Number:
1670-46-8
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
MDL Number:
MFCD00001413
IUPAC Name:
2-acetylcyclopentan-1-one
InChI:
InChI=1S/C7H10O2/c1-5(8)6-3-2-4-7(6)9/h6H,2-4H2,1H3
InChI Key:
OSWDNIFICGLKEE-UHFFFAOYSA-N
SMILES:
CC(=O)C1CCCC1=O
EC Number:
216-797-5
NSC Number:
141181
Properties
Complexity:
149  
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:
1  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Literature
Title Journal
Ultrafast vibrational population transfer dynamics in 2-acetylcyclopentanone studied by 2D IR spectroscopy. Chemphyschem : a European journal of chemical physics and physical chemistry 20110314
Gold(III) N-heterocyclic carbene complexes mediated synthesis of β-enaminones from 1,3-dicarbonyl compounds and aliphatic amines. Inorganic chemistry 20110307
Identifying chelators for metalloprotein inhibitors using a fragment-based approach. Journal of medicinal chemistry 20110127
β-dicarbonyl enolates: a new class of neuroprotectants. Journal of neurochemistry 20110101
Design and synthesis of novel inhibitors of gelatinase B. Bioorganic & medicinal chemistry letters 20020819
Properties