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Chemical ID: 4570675
Chemical ID:
4570675
Name [?]:
3-(3,4-dimethoxyphenyl)-7-hydroxy-chromen-4-one
SMILES [?]:
COc1ccc(cc1OC)c2coc3cc(ccc3c2=O)O
InChi [?]:
InChI=1/C17H14O5/c1-20-14-6-3-10(7-16(14)21-2)13-9-22-15-8-11(18)4-5-12(15)17(13)19/h3-9,18H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,5,17,18,4,7,15,12,6,16,19,11,3,14,8,20,22,21,2,9,13/rA:22nCOCCCCCCOCCCOCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s12;s13;s14;d15;s16;d17;d14s18;s11s19;d20;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14O5 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.56631 |
Area: | 482.706 |
Solvation: | -6.50135 |
Coulombic: | -45.4473 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 298.29 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.69 |
LogP (Chemaxon): | 3.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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