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Chemical ID: 7609265
Chemical ID:
7609265
Name [?]:
None
SMILES [?]:
Cc1cc(=O)c(=CO)c2=c1c(=O)oc-3c(c(=O)c(=C(O)O)c(c3o2)C)COC(=O)C=CC(=O)O
InChi [?]:
InChI=1/C22H16O12/c1-8-5-12(24)10(6-23)19-15(8)22(31)34-20-11(7-32-14(27)4-3-13(25)26)17(28)16(21(29)30)9(2)18(20)33-19/h3-6,23,29-30H,7H2,1-2H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,25,31,30,3,7,26,2,22,6,15,4,32,28,10,18,16,23,9,14,19,11,8,5,33,34,29,17,20,21,12,27,24,13/E:(25,26)(29,30)/rA:34nCCCCOCCOCCCOOCCCOCCOOCCOCCOCOCCCOO/rB:s1;d2;s3;d4;s4;w6;s7;s6;s2d9;s10;d11;s11;s13;d14;s15;d16;s16;d18;s19;s19;s18;s14d22;s9s23;s22;s15;s26;s27;d28;s28;w30;s31;d32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H16O12 |
All Atoms: | 50 |
Heavy Atoms: | 34 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.4381 |
Area: | 644.113 |
Solvation: | -9.66473 |
Coulombic: | -131.017 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.44 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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