Home Other Building Blocks 2-(cyclohexylmethyl)butanoic acid

2-(cyclohexylmethyl)butanoic acid

CAS No.:
110604-57-4
Catalog Number:
AG01AIDV
Molecular Formula:
C11H20O2
Molecular Weight:
184.2753
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Product Description
Catalog Number:
AG01AIDV
Chemical Name:
2-(cyclohexylmethyl)butanoic acid
CAS Number:
110604-57-4
Molecular Formula:
C11H20O2
Molecular Weight:
184.2753
MDL Number:
MFCD12794552
IUPAC Name:
2-(cyclohexylmethyl)butanoic acid
InChI:
InChI=1S/C11H20O2/c1-2-10(11(12)13)8-9-6-4-3-5-7-9/h9-10H,2-8H2,1H3,(H,12,13)
InChI Key:
GDZWTZDSOFTWKE-UHFFFAOYSA-N
SMILES:
CCC(C(=O)O)CC1CCCCC1
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.146g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.279g/mol
Monoisotopic Mass:
184.146g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties