Home Carboxys 1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid

1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid

CAS No.:
85263-85-0
Catalog Number:
AG01AGZO
Molecular Formula:
C12H19NO3
Molecular Weight:
225.2842
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Product Description
Catalog Number:
AG01AGZO
Chemical Name:
1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid
CAS Number:
85263-85-0
Molecular Formula:
C12H19NO3
Molecular Weight:
225.2842
MDL Number:
MFCD03426535
IUPAC Name:
1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C12H19NO3/c1-8-2-4-10(5-3-8)13-7-9(12(15)16)6-11(13)14/h8-10H,2-7H2,1H3,(H,15,16)
InChI Key:
BJIQLSRXOWUKSC-UHFFFAOYSA-N
SMILES:
CC1CCC(CC1)N1CC(CC1=O)C(=O)O
Properties
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.136g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.288g/mol
Monoisotopic Mass:
225.136g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties