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Chemical ID: 4565655
Chemical ID:
4565655
Name [?]:
2-(4-acetoxy-3-methoxy-benzoyl)amino-4,5-dimethoxy-benzoic acid
SMILES [?]:
CC(=O)Oc1ccc(cc1OC)C(=O)Nc2cc(c(cc2C(=O)O)OC)OC
InChi [?]:
InChI=1/C19H19NO8/c1-10(21)28-14-6-5-11(7-15(14)25-2)18(22)20-13-9-17(27-4)16(26-3)8-12(13)19(23)24/h5-9H,1-4H3,(H,20,22)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,12,26,28,7,6,9,20,17,2,8,21,16,5,10,19,18,13,22,15,3,14,23,24,11,25,27,4/E:(23,24)/rA:28nCCOOCCCCCCOCCONCCCCCCCOOOCOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;d22;s22;s19;s25;s18;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19NO8 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.67512 |
Area: | 594.271 |
Solvation: | -8.18166 |
Coulombic: | -85.0951 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 389.356 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 9 |
XLogP: | 2.25 |
LogP (Chemaxon): | 2.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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