Home Carboxys 2-oxo-1-phenylpiperidine-3-carboxylic acid

2-oxo-1-phenylpiperidine-3-carboxylic acid

CAS No.:
197973-92-5
Catalog Number:
AG01BGFD
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
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Product Description
Catalog Number:
AG01BGFD
Chemical Name:
2-oxo-1-phenylpiperidine-3-carboxylic acid
CAS Number:
197973-92-5
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD24495773
IUPAC Name:
2-oxo-1-phenylpiperidine-3-carboxylic acid
InChI:
InChI=1S/C12H13NO3/c14-11-10(12(15)16)7-4-8-13(11)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,15,16)
InChI Key:
ZKVHCSGIMKBCIM-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCN(C1=O)c1ccccc1
Properties
Complexity:
284  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties