Chemical ID: 4520359

CC(=O)CC(=O)N1CCOCC1
Chemical ID:
4520359
Name [?]:
1-morpholinobutane-1,3-dione
SMILES [?]:
CC(=O)CC(=O)N1CCOCC1
InChi [?]:
InChI=1/C8H13NO3/c1-7(10)6-8(11)9-2-4-12-5-3-9/h2-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,12,9,11,4,2,5,7,3,6,10/E:(2,3)(4,5)/rA:12nCCOCCONCCOCC/rB:s1;d2;s2;s4;d5;s5;s7;s8;s9;s10;s7s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H13NO3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:2.58554
Area:333.372
Solvation:-5.74876
Coulombic:-26.311
Bond Count [?]
All:12
Single:10
Double:2
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:171.194
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:-0.5
LogP (Chemaxon):-0.48

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Descriptor Annotations

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