Home Other Building Blocks 2-(cyclohexylmethyl)-3-methylbutanoic acid

2-(cyclohexylmethyl)-3-methylbutanoic acid

CAS No.:
1247459-46-6
Catalog Number:
AG01AIN8
Molecular Formula:
C12H22O2
Molecular Weight:
198.3019
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Product Description
Catalog Number:
AG01AIN8
Chemical Name:
2-(cyclohexylmethyl)-3-methylbutanoic acid
CAS Number:
1247459-46-6
Molecular Formula:
C12H22O2
Molecular Weight:
198.3019
MDL Number:
MFCD12794610
IUPAC Name:
2-(cyclohexylmethyl)-3-methylbutanoic acid
InChI:
InChI=1S/C12H22O2/c1-9(2)11(12(13)14)8-10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3,(H,13,14)
InChI Key:
LYLMAUPUTGVDTQ-UHFFFAOYSA-N
SMILES:
CC(C(C(=O)O)CC1CCCCC1)C
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.162g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
198.306g/mol
Monoisotopic Mass:
198.162g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties