Chemical ID: 4558361

Cc1ccccc1Oc2coc3cc(ccc3c2=O)OC(=O)C
Chemical ID:
4558361
Name [?]:
[3-(2-methylphenoxy)-4-oxo-chromen-7-yl] acetate
SMILES [?]:
Cc1ccccc1Oc2coc3cc(ccc3c2=O)OC(=O)C
InChi [?]:
InChI=1/C18H14O5/c1-11-5-3-4-6-15(11)23-17-10-21-16-9-13(22-12(2)19)7-8-14(16)18(17)20/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,4,5,3,6,15,16,13,10,2,21,14,17,7,12,9,18,22,19,11,20,8/rA:23nCCCCCCCOCCOCCCCCCCOOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;d12s16;s9s17;d18;s14;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14O5
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.75299
Area:498.059
Solvation:-3.6985
Coulombic:-42.0922
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:310.301
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.5
LogP (Chemaxon):3.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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