Home Carboxys 2-[(2,4,6-trimethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

2-[(2,4,6-trimethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

CAS No.:
200934-71-0
Catalog Number:
AG01ABU7
Molecular Formula:
C17H23NO3
Molecular Weight:
289.3694
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Product Description
Catalog Number:
AG01ABU7
Chemical Name:
2-[(2,4,6-trimethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CAS Number:
200934-71-0
Molecular Formula:
C17H23NO3
Molecular Weight:
289.3694
MDL Number:
MFCD00029459
IUPAC Name:
2-[(2,4,6-trimethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C17H23NO3/c1-10-8-11(2)15(12(3)9-10)18-16(19)13-6-4-5-7-14(13)17(20)21/h8-9,13-14H,4-7H2,1-3H3,(H,18,19)(H,20,21)
InChI Key:
ZKDSDIXJXZLPAK-UHFFFAOYSA-N
SMILES:
O=C(C1CCCCC1C(=O)O)Nc1c(C)cc(cc1C)C
NSC Number:
204796
Properties
Complexity:
384  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.168g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
289.375g/mol
Monoisotopic Mass:
289.168g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties