Home Carboxys ethyl 1-(carbamoylmethyl)-2-oxocyclohexane-1-carboxylate

ethyl 1-(carbamoylmethyl)-2-oxocyclohexane-1-carboxylate

CAS No.:
904212-02-8
Catalog Number:
AG01B1PQ
Molecular Formula:
C11H17NO4
Molecular Weight:
227.2570
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01B1PQ
Chemical Name:
ethyl 1-(carbamoylmethyl)-2-oxocyclohexane-1-carboxylate
CAS Number:
904212-02-8
Molecular Formula:
C11H17NO4
Molecular Weight:
227.2570
MDL Number:
MFCD28012257
IUPAC Name:
ethyl 1-(2-amino-2-oxoethyl)-2-oxocyclohexane-1-carboxylate
InChI:
InChI=1S/C11H17NO4/c1-2-16-10(15)11(7-9(12)14)6-4-3-5-8(11)13/h2-7H2,1H3,(H2,12,14)
InChI Key:
ROHSDQZDTXCXEW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CCCCC1=O)CC(=O)N
NSC Number:
117443
Properties
Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.116g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.26g/mol
Monoisotopic Mass:
227.116g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties