Home Carboxys 4-(2,2-dimethylpropanamido)cyclohexane-1-carboxylic acid, Mixture of isomers

4-(2,2-dimethylpropanamido)cyclohexane-1-carboxylic acid, Mixture of isomers

CAS No.:
1184664-82-1
Catalog Number:
AG01BFNL
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
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Product Description
Catalog Number:
AG01BFNL
Chemical Name:
4-(2,2-dimethylpropanamido)cyclohexane-1-carboxylic acid, Mixture of isomers
CAS Number:
1184664-82-1
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
MDL Number:
MFCD12156971
IUPAC Name:
4-(2,2-dimethylpropanoylamino)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C12H21NO3/c1-12(2,3)11(16)13-9-6-4-8(5-7-9)10(14)15/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)
InChI Key:
WJUJJESNLJSMRL-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)NC1CCC(CC1)C(=O)O
Properties
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.152g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
227.304g/mol
Monoisotopic Mass:
227.152g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties