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Chemical ID: 5112984
Chemical ID:
5112984
Name [?]:
5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-3-methoxy-chromen-4-one
SMILES [?]:
COc1ccc(cc1O)c2c(c(=O)c3c(cc(cc3o2)O)O)OC
InChi [?]:
InChI=1/C17H14O7/c1-22-12-4-3-8(5-10(12)19)16-17(23-2)15(21)14-11(20)6-9(18)7-13(14)24-16/h3-7,18-20H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,5,4,7,16,18,6,17,8,15,3,19,14,12,10,11,21,9,22,13,2,23,20/rA:24nCOCCCCCCOCCCOCCCCCCOOOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;d10;s11;d12;s12;s14;d15;s16;d17;d14s18;s10s19;s17;s15;s11;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14O7 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.83491 |
Area: | 501.79 |
Solvation: | -7.70985 |
Coulombic: | -77.669 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 330.289 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 1.72 |
LogP (Chemaxon): | 2.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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