Chemical ID: 3967446

COc1c2c(ccc(=O)o2)cc3c1occ3
Chemical ID:
3967446
Name [?]:
None
SMILES [?]:
COc1c2c(ccc(=O)o2)cc3c1occ3
InChi [?]:
InChI=1/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,7,16,15,11,5,12,8,13,4,3,9,2,14,10/rA:16nCOCCCCCCOOCCCOCC/rB:s1;s2;s3;d4;s5;d6;s7;d8;s4s8;s5;d11;d3s12;s13;s14;s12d15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H8O4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:4.46621
Area:366.952
Solvation:-4.70758
Coulombic:-32.736
Bond Count [?]
All:18
Single:12
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:216.19
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.73
LogP (Chemaxon):2.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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