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Chemical ID: 4520359
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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