Chemical ID: 5581609

C1CC2C3C(C1O2)C(=O)OC3=O
Chemical ID:
5581609
Name [?]:
None
SMILES [?]:
C1CC2C3C(C1O2)C(=O)OC3=O
InChi [?]:
InChI=1/C8H8O4/c9-7-5-3-1-2-4(11-3)6(5)8(10)12-7/h3-6H,1-2H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,4,8,11,9,12,7,10/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:12cCCCCCCOCOOCO/rB:s1;s2;s3;s4;s1s5;s3s6;s5;d8;s8;s4s10;d11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8O4
All Atoms:12
Heavy Atoms:12
Chiral Atoms:4
ZAP Information [?]
Total:2.83523
Area:297.755
Solvation:-4.60865
Coulombic:-31.6524
Bond Count [?]
All:14
Single:12
Double:2
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:168.147
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:-0.52
LogP (Chemaxon):-0.29

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Descriptor Annotations

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