Home Carboxys 2-methyl-4-oxocyclohexane-1-carboxylic acid

2-methyl-4-oxocyclohexane-1-carboxylic acid

CAS No.:
115989-20-3
Catalog Number:
AG01A33K
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
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Product Description
Catalog Number:
AG01A33K
Chemical Name:
2-methyl-4-oxocyclohexane-1-carboxylic acid
CAS Number:
115989-20-3
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
MDL Number:
MFCD20641494
IUPAC Name:
2-methyl-4-oxocyclohexane-1-carboxylic acid
InChI:
InChI=1S/C8H12O3/c1-5-4-6(9)2-3-7(5)8(10)11/h5,7H,2-4H2,1H3,(H,10,11)
InChI Key:
HUZUVHCSCARZQU-UHFFFAOYSA-N
SMILES:
O=C1CCC(C(C1)C)C(=O)O
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:
1  
Isotope Atom Count:
0
Molecular Weight:
156.181g/mol
Monoisotopic Mass:
156.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties