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Chemical ID: 6046304
Chemical ID:
6046304
Name [?]:
1-(2,4-dihydroxyphenyl)-2-(3,4-dihydroxyphenyl)-ethanone
SMILES [?]:
c1cc(c(cc1CC(=O)c2ccc(cc2O)O)O)O
InChi [?]:
InChI=1/C14H12O5/c15-9-2-3-10(13(18)7-9)12(17)5-8-1-4-11(16)14(19)6-8/h1-4,6-7,15-16,18-19H,5H2
InChi Info:
AuxInfo=1/0/N:1,12,11,2,7,5,14,6,13,10,3,8,15,4,17,19,9,16,18/rA:19nCCCCCCCCOCCCCCCOOOO/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s13;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12O5 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.58471 |
Area: | 441.196 |
Solvation: | -6.44519 |
Coulombic: | -70.0384 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 260.242 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | 0.93 |
LogP (Chemaxon): | 2.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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