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Chemical ID: 7462620
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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