Chemical ID: 4894688

CCOc1ccccc1Oc2c(oc3cc(ccc3c2=O)OC(=O)c4ccco4)C
Chemical ID:
4894688
Name [?]:
[3-(2-ethoxyphenoxy)-2-methyl-4-oxo-chromen-7-yl] furan-2-carboxylate
SMILES [?]:
CCOc1ccccc1Oc2c(oc3cc(ccc3c2=O)OC(=O)c4ccco4)C
InChi [?]:
InChI=1/C23H18O7/c1-3-26-17-7-4-5-8-18(17)30-22-14(2)28-20-13-15(10-11-16(20)21(22)24)29-23(25)19-9-6-12-27-19/h4-13H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,2,6,7,27,5,8,26,17,18,28,15,12,16,19,4,9,25,14,20,11,23,21,24,3,29,13,22,10/rA:30nCCOCCCCCCOCCOCCCCCCCOOCOCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s12;s13;s14;d15;s16;d17;d14s18;s11s19;d20;s16;s22;d23;s23;d25;s26;d27;s25s28;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H18O7
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.45397
Area:620.73
Solvation:-6.06427
Coulombic:-59.6325
Bond Count [?]
All:33
Single:22
Double:11
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:406.385
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.99
LogP (Chemaxon):3.88

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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