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Chemical ID: 5581477
Chemical ID:
5581477
Name [?]:
(3,4-dihydroxyphenyl)-(2,4,6-trihydroxyphenyl)-methanone
SMILES [?]:
c1cc(c(cc1C(=O)c2c(cc(cc2O)O)O)O)O
InChi [?]:
InChI=1/C13H10O6/c14-7-4-10(17)12(11(18)5-7)13(19)6-1-2-8(15)9(16)3-6/h1-5,14-18H
InChi Info:
AuxInfo=1/0/N:1,2,5,11,13,6,12,3,4,10,14,9,7,16,19,18,17,15,8/E:(4,5)(10,11)(17,18)/rA:19nCCCCCCCOCCCCCCOOOOO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s14;s12;s10;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10O6 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.61361 |
Area: | 430.284 |
Solvation: | -6.14349 |
Coulombic: | -87.0389 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 262.215 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 6 |
XLogP: | 0.08 |
LogP (Chemaxon): | 3.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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