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Chemical ID: 7514932
Chemical ID:
7514932
Name [?]:
9-(3,4-dimethoxyphenyl)-2,6,7-trihydroxy-xanthen-3-one
SMILES [?]:
COc1ccc(cc1OC)c2c3cc(c(cc3oc-4cc(=O)c(cc24)O)O)O
InChi [?]:
InChI=1/C21H16O7/c1-26-17-4-3-10(5-20(17)27-2)21-11-6-13(22)15(24)8-18(11)28-19-9-16(25)14(23)7-12(19)21/h3-9,22-24H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,5,4,7,13,24,16,20,6,12,25,14,23,15,21,3,17,19,8,11,28,26,27,22,2,9,18/rA:28nCOCCCCCCOCCCCCCCCOCCCOCCCOOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;d13;s14;d15;d12s16;s17;s18;d19;s20;d21;s21;d23;d11s19s24;s23;s15;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16O7 |
All Atoms: | 44 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 4.89615 |
Area: | 565.236 |
Solvation: | -9.23475 |
Coulombic: | -76.2375 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.46 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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