Home Carboxys 2-(tert-Butylcarbamoyl)cyclohexanecarboxylic acid

2-(tert-Butylcarbamoyl)cyclohexanecarboxylic acid

CAS No.:
69049-86-1
Catalog Number:
AG00FBSE
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$64
- +
5g
95%
In Stock USA
United States
$125
- +
Product Description
Catalog Number:
AG00FBSE
Chemical Name:
2-(tert-Butylcarbamoyl)cyclohexanecarboxylic acid
CAS Number:
69049-86-1
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
MDL Number:
MFCD07700900
IUPAC Name:
2-(tert-butylcarbamoyl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C12H21NO3/c1-12(2,3)13-10(14)8-6-4-5-7-9(8)11(15)16/h8-9H,4-7H2,1-3H3,(H,13,14)(H,15,16)
InChI Key:
MDYLQMLQBRWTPP-UHFFFAOYSA-N
SMILES:
O=C(C1CCCCC1C(=O)O)NC(C)(C)C
Properties
Complexity:
281  
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:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties