Chemical ID: 4908005

COc1ccc(cc1OC)c2cc(=O)c3ccc(cc3o2)O
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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