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Chemical ID: 5251016
Chemical ID:
5251016
Name [?]:
2-(2,6-dioxo-4-piperidyl)acetaldehyde
SMILES [?]:
C1C(CC(=O)NC1=O)CC=O
InChi [?]:
InChI=1/C7H9NO3/c9-2-1-5-3-6(10)8-7(11)4-5/h2,5H,1,3-4H2,(H,8,10,11)
InChi Info:
AuxInfo=1/1/N:9,10,1,3,2,7,4,6,11,8,5/E:(3,4)(6,7)(10,11)/rA:11nCCCCONCOCCO/rB:s1;s2;s3;d4;s4;s1s6;d7;s2;s9;d10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H9NO3 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.24451 |
Area: | 312.978 |
Solvation: | -4.57994 |
Coulombic: | -31.2688 |
Bond Count [?]
All: | 11 |
Single: | 8 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 155.151 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | -0.78 |
LogP (Chemaxon): | -1.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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