Chemical ID: 3966918

c1cc(c(cc1C=Cc2cc(cc(=O)o2)O)O)O
Chemical ID:
3966918
Name [?]:
6-[2-(3,4-dihydroxyphenyl)vinyl]-4-hydroxy-pyran-2-one
SMILES [?]:
c1cc(c(cc1C=Cc2cc(cc(=O)o2)O)O)O
InChi [?]:
InChI=1/C13H10O5/c14-9-6-10(18-13(17)7-9)3-1-8-2-4-11(15)12(16)5-8/h1-7,14-16H
InChi Info:
AuxInfo=1/0/N:7,1,8,2,5,10,12,6,11,9,3,4,13,16,18,17,14,15/rA:18nCCCCCCCCCCCCCOOOOO/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s10;d11;s12;d13;s9s13;s11;s4;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10O5
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:4.48702
Area:398.459
Solvation:-5.47446
Coulombic:-65.1794
Bond Count [?]
All:19
Single:12
Double:7
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:246.215
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:2.18
LogP (Chemaxon):2.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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