Home Carboxys 2-[(Sec-butylamino)carbonyl]cyclohexanecarboxylic acid

2-[(Sec-butylamino)carbonyl]cyclohexanecarboxylic acid

CAS No.:
1052642-90-6
Catalog Number:
AG00HAMK
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$64
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Product Description
Catalog Number:
AG00HAMK
Chemical Name:
2-[(Sec-butylamino)carbonyl]cyclohexanecarboxylic acid
CAS Number:
1052642-90-6
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
MDL Number:
MFCD06066204
IUPAC Name:
2-(butan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C12H21NO3/c1-3-8(2)13-11(14)9-6-4-5-7-10(9)12(15)16/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChI Key:
WMPANUWJMFSCAC-UHFFFAOYSA-N
SMILES:
CCC(NC(=O)C1CCCCC1C(=O)O)C
Properties
Complexity:
265  
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:
4  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties