Home Other Building Blocks 1-Benzoyl-4-oxo-nipecotic acid methyl ester

1-Benzoyl-4-oxo-nipecotic acid methyl ester

CAS No.:
3518-87-4
Catalog Number:
AG00CN38
Molecular Formula:
C14H15NO4
Molecular Weight:
261.2732
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$238
- +
Product Description
Catalog Number:
AG00CN38
Chemical Name:
1-Benzoyl-4-oxo-nipecotic acid methyl ester
CAS Number:
3518-87-4
Molecular Formula:
C14H15NO4
Molecular Weight:
261.2732
MDL Number:
MFCD00864076
IUPAC Name:
methyl 1-benzoyl-4-oxopiperidine-3-carboxylate
InChI:
InChI=1S/C14H15NO4/c1-19-14(18)11-9-15(8-7-12(11)16)13(17)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChI Key:
PZZCHYLJJBNOAB-UHFFFAOYSA-N
SMILES:
COC(=O)C1CN(CCC1=O)C(=O)c1ccccc1
Properties
Complexity:
374  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.1g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.277g/mol
Monoisotopic Mass:
261.1g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties