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Chemical ID: 6424025
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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