Home Carboxys 6-Oxo-3-phenylpiperidine-3-carboxylic acid

6-Oxo-3-phenylpiperidine-3-carboxylic acid

CAS No.:
46475-04-1
Catalog Number:
AG01BBJT
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$221
- +
Product Description
Catalog Number:
AG01BBJT
Chemical Name:
6-Oxo-3-phenylpiperidine-3-carboxylic acid
CAS Number:
46475-04-1
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD24481758
IUPAC Name:
6-oxo-3-phenylpiperidine-3-carboxylic acid
InChI:
InChI=1S/C12H13NO3/c14-10-6-7-12(8-13-10,11(15)16)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,14)(H,15,16)
InChI Key:
ITWJELJENLIOLJ-UHFFFAOYSA-N
SMILES:
O=C1CCC(CN1)(C(=O)O)c1ccccc1
Properties
Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties