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Chemical ID: 7727722
Chemical ID:
7727722
Name [?]:
None
SMILES [?]:
CC(C(=O)OC)Oc1ccc(cc1OC)C=C2C(=O)c3ccc(cc3O2)OC
InChi [?]:
InChI=1/C21H20O7/c1-12(21(23)26-4)27-16-8-5-13(9-18(16)25-3)10-19-20(22)15-7-6-14(24-2)11-17(15)28-19/h5-12H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,15,6,10,22,21,9,12,16,24,2,11,23,20,8,25,13,17,18,3,19,4,27,14,5,7,26/rA:28cCCCOOCOCCCCCCOCCCCOCCCCCCOOC/rB:s1;s2;d3;s3;s5;s2;s7;s8;d9;s10;d11;d8s12;s13;s14;s11;w16;s17;d18;s18;s20;d21;s22;d23;d20s24;s17s25;s23;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20O7 |
All Atoms: | 48 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.04741 |
Area: | 597.206 |
Solvation: | -7.88274 |
Coulombic: | -57.691 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.34 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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