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Chemical ID: 6416843
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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