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137506-75-3

137506-75-3 | 3,5-Piperidinedicarboxylic acid, 4-oxo-

CAS No: 137506-75-3 Catalog No: AG0013E4 MDL No:

Product Description

Catalog Number:
AG0013E4
Chemical Name:
3,5-Piperidinedicarboxylic acid, 4-oxo-
CAS Number:
137506-75-3
Molecular Formula:
C7H9NO5
Molecular Weight:
187.1501
IUPAC Name:
4-oxopiperidine-3,5-dicarboxylic acid
InChI:
InChI=1S/C7H9NO5/c9-5-3(6(10)11)1-8-2-4(5)7(12)13/h3-4,8H,1-2H2,(H,10,11)(H,12,13)
InChI Key:
HRVGVJXJUIVOPJ-UHFFFAOYSA-N
SMILES:
OC(=O)C1CNCC(C1=O)C(=O)O

Properties

Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.048g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
187.151g/mol
Monoisotopic Mass:
187.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.9  

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