Chemical ID: 7462620

COc1cc(c2c(c1)OC(CC2=O)c3ccc(c(c3)O)O)O
Chemical ID:
7462620
Name [?]:
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-chroman-4-one
SMILES [?]:
COc1cc(c2c(c1)OC(CC2=O)c3ccc(c(c3)O)O)O
InChi [?]:
InChI=1/C16H14O6/c1-21-9-5-12(19)16-13(20)7-14(22-15(16)6-9)8-2-3-10(17)11(18)4-8/h2-6,14,17-19H,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,16,19,4,8,11,14,3,17,18,5,12,10,7,6,21,20,22,13,2,9/rA:22cCOCCCCCCOCCCOCCCCCCOOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s6s11;d12;s10;s14;d15;s16;d17;d14s18;s18;s17;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14O6
All Atoms:36
Heavy Atoms:22
Chiral Atoms:None
ZAP Information [?]
Total:4.91706
Area:477.799
Solvation:-7.02793
Coulombic:-68.6392
Bond Count [?]
All:24
Single:17
Double:7
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.49
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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