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Chemical ID: 4908005
Chemical ID:
4908005
Name [?]:
2-(3,4-dimethoxyphenyl)-7-hydroxy-chromen-4-one
SMILES [?]:
COc1ccc(cc1OC)c2cc(=O)c3ccc(cc3o2)O
InChi [?]:
InChI=1/C17H14O5/c1-20-14-6-3-10(7-17(14)21-2)15-9-13(19)12-5-4-11(18)8-16(12)22-15/h3-9,18H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,5,17,16,4,7,19,12,6,18,15,13,3,11,20,8,22,14,2,9,21/rA:22nCOCCCCCCOCCCCOCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s12;d13;s13;s15;d16;s17;d18;d15s19;s11s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14O5 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.77686 |
Area: | 486.952 |
Solvation: | -6.39693 |
Coulombic: | -45.5173 |
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: | 2.79 |
LogP (Chemaxon): | 2.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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