Home Carboxys 1-(5-formylfuran-2-yl)piperidine-4-carboxylic acid

1-(5-formylfuran-2-yl)piperidine-4-carboxylic acid

CAS No.:
1181260-24-1
Catalog Number:
AG01EIFX
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
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Product Description
Catalog Number:
AG01EIFX
Chemical Name:
1-(5-formylfuran-2-yl)piperidine-4-carboxylic acid
CAS Number:
1181260-24-1
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
MDL Number:
MFCD11886370
IUPAC Name:
1-(5-formylfuran-2-yl)piperidine-4-carboxylic acid
InChI:
InChI=1S/C11H13NO4/c13-7-9-1-2-10(16-9)12-5-3-8(4-6-12)11(14)15/h1-2,7-8H,3-6H2,(H,14,15)
InChI Key:
VSCUBKWEUNGUDJ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)N1CCC(CC1)C(=O)O
Properties
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.084g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.228g/mol
Monoisotopic Mass:
223.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties