Home Other Building Blocks 2-cyclohexyl-2-(pyridin-3-yl)acetic acid

2-cyclohexyl-2-(pyridin-3-yl)acetic acid

CAS No.:
1518459-54-5
Catalog Number:
AG01B2L7
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
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Product Description
Catalog Number:
AG01B2L7
Chemical Name:
2-cyclohexyl-2-(pyridin-3-yl)acetic acid
CAS Number:
1518459-54-5
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
MDL Number:
MFCD24334875
IUPAC Name:
2-cyclohexyl-2-pyridin-3-ylacetic acid
InChI:
InChI=1S/C13H17NO2/c15-13(16)12(10-5-2-1-3-6-10)11-7-4-8-14-9-11/h4,7-10,12H,1-3,5-6H2,(H,15,16)
InChI Key:
OOXAKMFDZKNVTF-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1cccnc1)C1CCCCC1
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties