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Chemical ID: 7722076
Chemical ID:
7722076
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1OCC)C=C2C(=O)c3cc(ccc3O2)C(=O)OC
InChi [?]:
InChI=1/C21H20O6/c1-4-25-17-8-6-13(10-18(17)26-5-2)11-19-20(22)15-12-14(21(23)24-3)7-9-16(15)27-19/h6-12H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,27,2,11,6,20,5,21,8,13,18,7,19,17,22,4,9,14,15,24,16,25,26,3,10,23/rA:27nCCOCCCCCCOCCCCCOCCCCCCOCOOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;w13;s14;d15;s15;s17;d18;s19;d20;d17s21;s14s22;s19;d24;s24;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20O6 |
All Atoms: | 47 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.66741 |
Area: | 595.476 |
Solvation: | -6.21949 |
Coulombic: | -51.3219 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.98 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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