Chemical ID: 6509034

CC(=O)CC(=O)NCc1ccco1
Chemical ID:
6509034
Name [?]:
N-(2-furylmethyl)-3-oxo-butanamide
SMILES [?]:
CC(=O)CC(=O)NCc1ccco1
InChi [?]:
InChI=1/C9H11NO3/c1-7(11)5-9(12)10-6-8-3-2-4-13-8/h2-4H,5-6H2,1H3,(H,10,12)
InChi Info:
AuxInfo=1/1/N:1,11,10,12,4,8,2,9,5,7,3,6,13/rA:13nCCOCCONCCCCCO/rB:s1;d2;s2;s4;d5;s5;s7;s8;d9;s10;d11;s9s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11NO3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:3.75763
Area:364.955
Solvation:-5.36624
Coulombic:-30.0991
Bond Count [?]
All:13
Single:9
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:181.189
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.16
LogP (Chemaxon):0.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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