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Chemical ID: 7727727
Chemical ID:
7727727
Name [?]:
None
SMILES [?]:
CC(=O)Oc1ccc(cc1OC)C=C2C(=O)c3ccc(cc3O2)OC
InChi [?]:
InChI=1/C19H16O6/c1-11(20)24-15-7-4-12(8-17(15)23-3)9-18-19(21)14-6-5-13(22-2)10-16(14)25-18/h4-10H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,25,12,7,19,18,6,9,13,21,2,8,20,17,5,22,10,14,15,3,16,24,11,4,23/rA:25nCCOOCCCCCCOCCCCOCCCCCCOOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;w13;s14;d15;s15;s17;d18;s19;d20;d17s21;s14s22;s20;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16O6 |
All Atoms: | 41 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.82434 |
Area: | 549.571 |
Solvation: | -5.91494 |
Coulombic: | -48.7169 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.98 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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