Home Carboxys 1-methyl-3-oxocyclopentane-1-carboxylic acid

1-methyl-3-oxocyclopentane-1-carboxylic acid

CAS No.:
85729-35-7
Catalog Number:
AG01AEK6
Molecular Formula:
C7H10O3
Molecular Weight:
142.1525
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Product Description
Catalog Number:
AG01AEK6
Chemical Name:
1-methyl-3-oxocyclopentane-1-carboxylic acid
CAS Number:
85729-35-7
Molecular Formula:
C7H10O3
Molecular Weight:
142.1525
MDL Number:
MFCD19229085
IUPAC Name:
1-methyl-3-oxocyclopentane-1-carboxylic acid
InChI:
InChI=1S/C7H10O3/c1-7(6(9)10)3-2-5(8)4-7/h2-4H2,1H3,(H,9,10)
InChI Key:
DSYSJIYHGXBBFE-UHFFFAOYSA-N
SMILES:
O=C1CCC(C1)(C)C(=O)O
Properties
Complexity:
185  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
142.154g/mol
Monoisotopic Mass:
142.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties