Home Carboxys pentamethylcyclopropane-1-carboxylic acid

pentamethylcyclopropane-1-carboxylic acid

CAS No.:
55109-26-7
Catalog Number:
AG01BNCX
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
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Product Description
Catalog Number:
AG01BNCX
Chemical Name:
pentamethylcyclopropane-1-carboxylic acid
CAS Number:
55109-26-7
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
MDL Number:
MFCD20641174
IUPAC Name:
1,2,2,3,3-pentamethylcyclopropane-1-carboxylic acid
InChI:
InChI=1S/C9H16O2/c1-7(2)8(3,4)9(7,5)6(10)11/h1-5H3,(H,10,11)
InChI Key:
CULDOFBSBZAHMP-UHFFFAOYSA-N
SMILES:
OC(=O)C1(C)C(C1(C)C)(C)C
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Alpha-fluoro-2,2,3,3-tetramethylcyclopropanecarboxamide, a novel potent anticonvulsant derivative of a cyclic analogue of valproic acid. Journal of medicinal chemistry 20090423
Properties