Home Carboxys 3-[(ethylamino)carbonyl]-1,2,2-trimethylcyclopentanecarboxylic acid

3-[(ethylamino)carbonyl]-1,2,2-trimethylcyclopentanecarboxylic acid

CAS No.:
627844-39-7
Catalog Number:
AG00EC3O
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
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Product Description
Catalog Number:
AG00EC3O
Chemical Name:
3-[(ethylamino)carbonyl]-1,2,2-trimethylcyclopentanecarboxylic acid
CAS Number:
627844-39-7
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
MDL Number:
MFCD06308278
IUPAC Name:
3-(ethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
InChI:
InChI=1S/C12H21NO3/c1-5-13-9(14)8-6-7-12(4,10(15)16)11(8,2)3/h8H,5-7H2,1-4H3,(H,13,14)(H,15,16)
InChI Key:
KUBXPGRPHGZSAH-UHFFFAOYSA-N
SMILES:
CCNC(=O)C1CCC(C1(C)C)(C)C(=O)O
Properties
Complexity:
311  
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:
1.4  
Properties