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Chemical ID: 7701201
Chemical ID:
7701201
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C(=O)OC
InChi [?]:
InChI=1/C17H16O6/c1-20-13-7-4-11(5-8-13)17(19)23-14-9-6-12(16(18)22-3)10-15(14)21-2/h4-10H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,23,5,7,14,4,8,13,16,6,15,3,12,17,20,9,21,10,2,18,22,11/E:(4,5)(7,8)/rA:23nCOCCCCCCCOOCCCCCCOCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s18;s15;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16O6 |
All Atoms: | 39 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.32078 |
Area: | 528.547 |
Solvation: | -4.89289 |
Coulombic: | -54.4559 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.02 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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