Home Carboxys methyl 3-methyl-2-oxocyclopentane-1-carboxylate, Mixture of diastereomers

methyl 3-methyl-2-oxocyclopentane-1-carboxylate, Mixture of diastereomers

CAS No.:
57964-61-1
Catalog Number:
AG019YWF
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
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Product Description
Catalog Number:
AG019YWF
Chemical Name:
methyl 3-methyl-2-oxocyclopentane-1-carboxylate, Mixture of diastereomers
CAS Number:
57964-61-1
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
MDL Number:
MFCD06254246
IUPAC Name:
methyl 3-methyl-2-oxocyclopentane-1-carboxylate
InChI:
InChI=1S/C8H12O3/c1-5-3-4-6(7(5)9)8(10)11-2/h5-6H,3-4H2,1-2H3
InChI Key:
XLXHNYUBTZYEQX-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCC(C1=O)C
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.079g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.181g/mol
Monoisotopic Mass:
156.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties