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Home Carboxys 3,5-Dimethyladamantane-1-carboxylic acid

3,5-Dimethyladamantane-1-carboxylic acid

CAS No.:
14670-94-1
Catalog Number:
AG001E95
Molecular Formula:
C13H20O2
Molecular Weight:
208.2967
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Product Description
Catalog Number:
AG001E95
Chemical Name:
3,5-Dimethyladamantane-1-carboxylic acid
CAS Number:
14670-94-1
Molecular Formula:
C13H20O2
Molecular Weight:
208.2967
MDL Number:
MFCD00188067
IUPAC Name:
3,5-dimethyladamantane-1-carboxylic acid
InChI:
InChI=1S/C13H20O2/c1-11-3-9-4-12(2,6-11)8-13(5-9,7-11)10(14)15/h9H,3-8H2,1-2H3,(H,14,15)
InChI Key:
BSWOQWGHXZTDOO-UHFFFAOYSA-N
SMILES:
OC(=O)C12CC3CC(C2)(CC(C1)(C3)C)C
Properties
Complexity:
315  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.146g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.301g/mol
Monoisotopic Mass:
208.146g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Conjugates of desferrioxamine B (DFOB) with derivatives of adamantane or with orally available chelators as potential agents for treating iron overload. Journal of medicinal chemistry 20100211
Properties