Home Carboxys 1-(4-methylbenzoyl)piperidine-2-carboxylic acid

1-(4-methylbenzoyl)piperidine-2-carboxylic acid

CAS No.:
681827-45-2
Catalog Number:
AG00J9AR
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
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Product Description
Catalog Number:
AG00J9AR
Chemical Name:
1-(4-methylbenzoyl)piperidine-2-carboxylic acid
CAS Number:
681827-45-2
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
MDL Number:
MFCD08443081
IUPAC Name:
1-(4-methylbenzoyl)piperidine-2-carboxylic acid
InChI:
InChI=1S/C14H17NO3/c1-10-5-7-11(8-6-10)13(16)15-9-3-2-4-12(15)14(17)18/h5-8,12H,2-4,9H2,1H3,(H,17,18)
InChI Key:
BZXDLYJKTZHAKP-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCCN1C(=O)c1ccc(cc1)C
Properties
Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties