Chemical ID: 6875842

CCc1ccccc1Oc2coc3cc(ccc3c2=O)OCC(=O)OCCOCC
Chemical ID:
6875842
Name [?]:
2-ethoxyethyl 2-[3-(2-ethylphenoxy)-4-oxo-chromen-7-yl]oxyacetate
SMILES [?]:
CCc1ccccc1Oc2coc3cc(ccc3c2=O)OCC(=O)OCCOCC
InChi [?]:
InChI=1/C23H24O7/c1-3-16-7-5-6-8-19(16)30-21-14-29-20-13-17(9-10-18(20)23(21)25)28-15-22(24)27-12-11-26-4-2/h5-10,13-14H,3-4,11-12,15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,2,29,5,6,4,7,16,17,27,26,14,11,22,3,15,18,8,13,10,23,19,24,20,28,25,21,12,9/rA:30nCCCCCCCCOCCOCCCCCCCOOCCOOCCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;d13s17;s10s18;d19;s15;s21;s22;d23;s23;s25;s26;s27;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24O7
All Atoms:54
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.56801
Area:668.057
Solvation:-7.13342
Coulombic:-58.8259
Bond Count [?]
All:32
Single:23
Double:9
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:412.432
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.03
LogP (Chemaxon):3.96

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Descriptor Annotations

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