Home Carboxys 4-carbamoylcyclohexane-1-carboxylic acid

4-carbamoylcyclohexane-1-carboxylic acid

CAS No.:
55794-22-4
Catalog Number:
AG00DL74
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
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Product Description
Catalog Number:
AG00DL74
Chemical Name:
4-carbamoylcyclohexane-1-carboxylic acid
CAS Number:
55794-22-4
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
MDL Number:
MFCD09814965
IUPAC Name:
4-carbamoylcyclohexane-1-carboxylic acid
InChI:
InChI=1S/C8H13NO3/c9-7(10)5-1-3-6(4-2-5)8(11)12/h5-6H,1-4H2,(H2,9,10)(H,11,12)
InChI Key:
ZATPPBWCNUNFLZ-UHFFFAOYSA-N
SMILES:
NC(=O)C1CCC(CC1)C(=O)O
Properties
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.09g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
171.196g/mol
Monoisotopic Mass:
171.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties