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Home Other Building Blocks 2-cyclohexyl-2-(pyridin-4-yl)acetic acid hydrochloride

2-cyclohexyl-2-(pyridin-4-yl)acetic acid hydrochloride

CAS No.:
1909310-06-0
Catalog Number:
AG01C5B5
Molecular Formula:
C13H18ClNO2
Molecular Weight:
255.7405
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Product Description
Catalog Number:
AG01C5B5
Chemical Name:
2-cyclohexyl-2-(pyridin-4-yl)acetic acid hydrochloride
CAS Number:
1909310-06-0
Molecular Formula:
C13H18ClNO2
Molecular Weight:
255.7405
MDL Number:
MFCD29763359
IUPAC Name:
2-cyclohexyl-2-pyridin-4-ylacetic acid;hydrochloride
InChI:
InChI=1S/C13H17NO2.ClH/c15-13(16)12(10-4-2-1-3-5-10)11-6-8-14-9-7-11;/h6-10,12H,1-5H2,(H,15,16);1H
InChI Key:
YPYSPVOBXMDMAW-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccncc1)C1CCCCC1.Cl
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.103g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
255.742g/mol
Monoisotopic Mass:
255.103g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties