Chemical ID: 6424025

COc1ccc(cc1)c2c(=O)c3c(cc(cc3OC)OC)oc2C(=O)O
Chemical ID:
6424025
Name [?]:
5,7-dimethoxy-3-(4-methoxyphenyl)-4-oxo-chromene-2-carboxylic acid
SMILES [?]:
COc1ccc(cc1)c2c(=O)c3c(cc(cc3OC)OC)oc2C(=O)O
InChi [?]:
InChI=1/C19H16O7/c1-23-11-6-4-10(5-7-11)15-17(20)16-13(25-3)8-12(24-2)9-14(16)26-18(15)19(21)22/h4-9H,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,21,19,5,7,4,8,16,14,6,3,15,17,13,9,12,10,23,24,11,25,26,2,20,18,22/E:(4,5)(6,7)(21,22)/rA:26nCOCCCCCCCCOCCCCCCOCOCOCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;s15;s20;s13;d9s22;s23;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16O7
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:5.72484
Area:529.621
Solvation:-7.51568
Coulombic:-63.5018
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:356.326
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.91
LogP (Chemaxon):2.38

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Experimental Annotations

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Descriptor Annotations

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