Chemical ID: 4555776

CCOC(=O)COc1ccc2c(c1)oc(c(c2=O)c3cc4ccccc4o3)C
Chemical ID:
4555776
Name [?]:
ethyl 2-(3-benzofuran-2-yl-2-methyl-4-oxo-chromen-7-yl)oxyacetate
SMILES [?]:
CCOC(=O)COc1ccc2c(c1)oc(c(c2=O)c3cc4ccccc4o3)C
InChi [?]:
InChI=1/C22H18O6/c1-3-25-20(23)12-26-15-8-9-16-18(11-15)27-13(2)21(22(16)24)19-10-14-6-4-5-7-17(14)28-19/h4-11H,3,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,2,23,24,22,25,9,10,20,13,6,15,21,8,11,26,12,19,4,16,17,5,18,3,7,14,27/rA:28nCCOCOCOCCCCCCOCCCOCCCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s12;s14;d15;s11s16;d17;s16;d19;s20;s21;d22;s23;d24;d21s25;s19s26;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18O6
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.78773
Area:603.573
Solvation:-5.30158
Coulombic:-50.1076
Bond Count [?]
All:31
Single:21
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:378.375
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.87
LogP (Chemaxon):3.88

Name Annotations

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Descriptor Annotations

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