Home Carboxys 2-{[(2,6-dimethylphenyl)amino]carbonyl}cyclohexanecarboxylic acid

2-{[(2,6-dimethylphenyl)amino]carbonyl}cyclohexanecarboxylic acid

CAS No.:
414882-11-4
Catalog Number:
AG00C5WO
Molecular Formula:
C16H21NO3
Molecular Weight:
275.3428
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Purity
Availability
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Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$64
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Product Description
Catalog Number:
AG00C5WO
Chemical Name:
2-{[(2,6-dimethylphenyl)amino]carbonyl}cyclohexanecarboxylic acid
CAS Number:
414882-11-4
Molecular Formula:
C16H21NO3
Molecular Weight:
275.3428
MDL Number:
MFCD00586045
IUPAC Name:
2-[(2,6-dimethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C16H21NO3/c1-10-6-5-7-11(2)14(10)17-15(18)12-8-3-4-9-13(12)16(19)20/h5-7,12-13H,3-4,8-9H2,1-2H3,(H,17,18)(H,19,20)
InChI Key:
GOLSKGZLRARSGY-UHFFFAOYSA-N
SMILES:
O=C(C1CCCCC1C(=O)O)Nc1c(C)cccc1C
Properties
Complexity:
359  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.152g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
275.348g/mol
Monoisotopic Mass:
275.152g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties