Chemical ID: 4556991

CCOC(=O)COc1ccc2c(c1)occ(c2=O)Oc3ccc(cc3)C(=O)OC
Chemical ID:
4556991
Name [?]:
methyl 4-[7-(ethoxycarbonylmethoxy)-4-oxo-chromen-3-yl]oxybenzoate
SMILES [?]:
CCOC(=O)COc1ccc2c(c1)occ(c2=O)Oc3ccc(cc3)C(=O)OC
InChi [?]:
InChI=1/C21H18O8/c1-3-26-19(22)12-27-15-8-9-16-17(10-15)28-11-18(20(16)23)29-14-6-4-13(5-7-14)21(24)25-2/h4-11H,3,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,2,22,24,21,25,9,10,13,15,6,23,20,8,11,12,16,4,17,26,5,18,27,28,3,7,14,19/E:(4,5)(6,7)/rA:29nCCOCOCOCCCCCCOCCCOOCCCCCCCOOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s12;s14;d15;s11s16;d17;s16;s19;s20;d21;s22;d23;d20s24;s23;d26;s26;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H18O8
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:9.3545
Area:634.225
Solvation:-6.50111
Coulombic:-69.7226
Bond Count [?]
All:31
Single:21
Double:10
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:398.363
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:3.46
LogP (Chemaxon):2.81

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Descriptor Annotations

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