Home Carbonyls 3-(piperidine-1-carbonyl)benzoic acid

3-(piperidine-1-carbonyl)benzoic acid

CAS No.:
194738-09-5
Catalog Number:
AG01DZ8E
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
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Product Description
Catalog Number:
AG01DZ8E
Chemical Name:
3-(piperidine-1-carbonyl)benzoic acid
CAS Number:
194738-09-5
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
MDL Number:
MFCD09759152
IUPAC Name:
3-(piperidine-1-carbonyl)benzoic acid
InChI:
InChI=1S/C13H15NO3/c15-12(14-7-2-1-3-8-14)10-5-4-6-11(9-10)13(16)17/h4-6,9H,1-3,7-8H2,(H,16,17)
InChI Key:
DUWCZANZDLDVDP-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)C(=O)O)N1CCCCC1
Properties
Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties