Chemical ID: 4692736

CC(=O)CC(=O)NC(=O)C
Chemical ID:
4692736
Name [?]:
N-acetyl-3-oxo-butanamide
SMILES [?]:
CC(=O)CC(=O)NC(=O)C
InChi [?]:
InChI=1/C6H9NO3/c1-4(8)3-6(10)7-5(2)9/h3H2,1-2H3,(H,7,9,10)
InChi Info:
AuxInfo=1/1/N:1,10,4,2,8,5,7,3,9,6/rA:10nCCOCCONCOC/rB:s1;d2;s2;s4;d5;s5;s7;d8;s8;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H9NO3
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:0.857896
Area:305.169
Solvation:-6.77133
Coulombic:-27.6685
Bond Count [?]
All:9
Single:6
Double:3
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:143.141
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.21
LogP (Chemaxon):-0.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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