Chemical ID: 5247127

COc1c2c(ccc(=O)o2)c(c3c1occ3)O
Chemical ID:
5247127
Name [?]:
None
SMILES [?]:
COc1c2c(ccc(=O)o2)c(c3c1occ3)O
InChi [?]:
InChI=1/C12H8O5/c1-15-12-10-7(4-5-16-10)9(14)6-2-3-8(13)17-11(6)12/h2-5,14H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,7,16,15,5,12,8,11,13,4,3,9,17,2,14,10/rA:17nCOCCCCCCOOCCCOCCO/rB:s1;s2;s3;d4;s5;d6;s7;d8;s4s8;s5;d11;d3s12;s13;s14;s12d15;s11;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H8O5
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:4.18504
Area:378.054
Solvation:-5.26632
Coulombic:-47.7868
Bond Count [?]
All:19
Single:13
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:232.189
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.33
LogP (Chemaxon):2.16

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Experimental Annotations

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Descriptor Annotations

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