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Chemical ID: 4959395
Chemical ID:
4959395
Name [?]:
N-(1-acetyl-2-oxo-propyl)acetamide
SMILES [?]:
CC(=O)C(C(=O)C)NC(=O)C
InChi [?]:
InChI=1/C7H11NO3/c1-4(9)7(5(2)10)8-6(3)11/h7H,1-3H3,(H,8,11)
InChi Info:
AuxInfo=1/1/N:1,7,11,2,5,9,4,8,3,6,10/E:(1,2)(4,5)(9,10)/rA:11nCCOCCOCNCOC/rB:s1;d2;s2;s4;d5;s5;s4;s8;d9;s9;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H11NO3 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.90633 |
Area: | 326.066 |
Solvation: | -4.24532 |
Coulombic: | -31.9533 |
Bond Count [?]
All: | 10 |
Single: | 7 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 157.167 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | -0.55 |
LogP (Chemaxon): | -0.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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