Chemical ID: 6679599

C1C(=O)O[Ca]OC(=O)CO1
Chemical ID:
6679599
Name [?]:
1,3,6-trioxa-2$l^{2}-calcacyclooctane-4,8-dione
SMILES [?]:
C1C(=O)O[Ca]OC(=O)CO1
InChi [?]:
InChI=1/C4H6O5.Ca/c5-3(6)1-9-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);/q;+2/p-2
InChi Info:
AuxInfo=1/1/N:1,9,2,7,3,4,6,8,10;5/E:(1,2)(3,4)(5,6,7,8);/gE:(1,2);/rA:10nCCOOCaOCOCO/rB:s1;d2;s2;s4;s5;s6;d7;s7;s1s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C4H4CaO5
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:28.9553
Area:289.749
Solvation:21.7116
Coulombic:0.0
Bond Count [?]
All:10
Single:8
Double:2
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:172.15
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:-0.51
LogP (Chemaxon):-0.68

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Descriptor Annotations

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