Home Other Building Blocks 2-(6-oxopiperidin-2-yl)propanedioic acid

2-(6-oxopiperidin-2-yl)propanedioic acid

CAS No.:
1803612-18-1
Catalog Number:
AG01BANN
Molecular Formula:
C8H11NO5
Molecular Weight:
201.1766
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Product Description
Catalog Number:
AG01BANN
Chemical Name:
2-(6-oxopiperidin-2-yl)propanedioic acid
CAS Number:
1803612-18-1
Molecular Formula:
C8H11NO5
Molecular Weight:
201.1766
MDL Number:
MFCD28954056
IUPAC Name:
2-(6-oxopiperidin-2-yl)propanedioic acid
InChI:
InChI=1S/C8H11NO5/c10-5-3-1-2-4(9-5)6(7(11)12)8(13)14/h4,6H,1-3H2,(H,9,10)(H,11,12)(H,13,14)
InChI Key:
MRCAQPFPFFSBTH-UHFFFAOYSA-N
SMILES:
O=C1CCCC(N1)C(C(=O)O)C(=O)O
Properties
Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.064g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
201.178g/mol
Monoisotopic Mass:
201.064g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Properties