Home Carboxys 2-(4-carboxypiperidin-1-yl)nicotinic acid

2-(4-carboxypiperidin-1-yl)nicotinic acid

CAS No.:
1187568-83-7
Catalog Number:
AG01DHNR
Molecular Formula:
C12H14N2O4
Molecular Weight:
250.2506
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Product Description
Catalog Number:
AG01DHNR
Chemical Name:
2-(4-carboxypiperidin-1-yl)nicotinic acid
CAS Number:
1187568-83-7
Molecular Formula:
C12H14N2O4
Molecular Weight:
250.2506
MDL Number:
MFCD31652458
IUPAC Name:
2-(4-carboxypiperidin-1-yl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C12H14N2O4/c15-11(16)8-3-6-14(7-4-8)10-9(12(17)18)2-1-5-13-10/h1-2,5,8H,3-4,6-7H2,(H,15,16)(H,17,18)
InChI Key:
VTHGYDXDECMYTD-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN(CC1)c1ncccc1C(=O)O
Properties
Complexity:
326  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.095g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
250.254g/mol
Monoisotopic Mass:
250.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
90.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties