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

2-[(butylamino)carbonyl]cyclohexanecarboxylic acid

CAS No.:
438613-40-2
Catalog Number:
AG00DARA
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
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Product Description
Catalog Number:
AG00DARA
Chemical Name:
2-[(butylamino)carbonyl]cyclohexanecarboxylic acid
CAS Number:
438613-40-2
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
IUPAC Name:
2-(butylcarbamoyl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C12H21NO3/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(15)16/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16)
InChI Key:
PSXSDJFHXYJJFU-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)C1CCCCC1C(=O)O
Properties
Complexity:
253  
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:
5  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties