Chemical ID: 6416843

Cc1cc(=O)oc2c1ccc3c2cco3
Chemical ID:
6416843
Name [?]:
None
SMILES [?]:
Cc1cc(=O)oc2c1ccc3c2cco3
InChi [?]:
InChI=1/C12H8O3/c1-7-6-11(13)15-12-8(7)2-3-10-9(12)4-5-14-10/h2-6H,1H3
InChi Info:
AuxInfo=1/0/N:1,9,10,13,14,3,2,8,12,11,4,7,5,15,6/rA:15nCCCCOOCCCCCCCCO/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;d10;d7s11;s12;d13;s11s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H8O3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:5.96879
Area:349.533
Solvation:-2.76954
Coulombic:-25.6224
Bond Count [?]
All:17
Single:11
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:200.19
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.17
LogP (Chemaxon):3.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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