Chemical ID: 5225366

c1cc(=O)oc2c1cc3c(c2O)OC=CC3
Chemical ID:
5225366
Name [?]:
None
SMILES [?]:
c1cc(=O)oc2c1cc3c(c2O)OC=CC3
InChi [?]:
InChI=1/C12H8O4/c13-9-4-3-8-6-7-2-1-5-15-11(7)10(14)12(8)16-9/h1,3-6,14H,2H2
InChi Info:
AuxInfo=1/0/N:15,16,1,2,14,8,9,7,3,11,10,6,4,12,13,5/rA:16nCCCOOCCCCCCOOCCC/rB:d1;s2;d3;s3;s5;s1s6;d7;s8;d9;d6s10;s11;s10;s13;d14;s9s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H8O4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:4.59312
Area:363.235
Solvation:-4.48775
Coulombic:-41.3077
Bond Count [?]
All:18
Single:12
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:216.19
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.56
LogP (Chemaxon):2.74

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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