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918306-39-5

918306-39-5 | Cyclohexanecarboxylic acid, 2-[[(2-hydroxyethyl)methylamino]carbonyl]-

CAS No: 918306-39-5 Catalog No: AG006GGD MDL No:

Product Description

Catalog Number:
AG006GGD
Chemical Name:
Cyclohexanecarboxylic acid, 2-[[(2-hydroxyethyl)methylamino]carbonyl]-
CAS Number:
918306-39-5
Molecular Formula:
C11H19NO4
Molecular Weight:
229.2729
IUPAC Name:
2-[2-hydroxyethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C11H19NO4/c1-12(6-7-13)10(14)8-4-2-3-5-9(8)11(15)16/h8-9,13H,2-7H2,1H3,(H,15,16)
InChI Key:
RMHJDOZMCDPSKO-UHFFFAOYSA-N
SMILES:
OCCN(C(=O)C1CCCCC1C(=O)O)C

Properties

Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.131g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
229.276g/mol
Monoisotopic Mass:
229.131g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  

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