Home Carboxys 2-cyclopentyl-6-methoxypyridine-4-carboxylic acid

2-cyclopentyl-6-methoxypyridine-4-carboxylic acid

CAS No.:
1122089-67-1
Catalog Number:
AG00IKN9
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
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Product Description
Catalog Number:
AG00IKN9
Chemical Name:
2-cyclopentyl-6-methoxypyridine-4-carboxylic acid
CAS Number:
1122089-67-1
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
IUPAC Name:
2-cyclopentyl-6-methoxypyridine-4-carboxylic acid
InChI:
InChI=1S/C12H15NO3/c1-16-11-7-9(12(14)15)6-10(13-11)8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H,14,15)
InChI Key:
HNBBOUJRDHVLFJ-UHFFFAOYSA-N
SMILES:
COc1nc(cc(c1)C(=O)O)C1CCCC1
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties