Chemical ID: 6847286

Cc1ccc(cc1)c2c(c(=O)c3c(cc(cc3o2)C)C)OCC(=O)OC
Chemical ID:
6847286
Name [?]:
methyl 2-[5,7-dimethyl-4-oxo-2-(p-tolyl)chromen-3-yl]oxyacetate
SMILES [?]:
Cc1ccc(cc1)c2c(c(=O)c3c(cc(cc3o2)C)C)OCC(=O)OC
InChi [?]:
InChI=1/C21H20O5/c1-12-5-7-15(8-6-12)20-21(25-11-17(22)24-4)19(23)18-14(3)9-13(2)10-16(18)26-20/h5-10H,11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,19,20,26,3,7,4,6,14,16,22,2,15,13,5,17,23,12,10,8,9,24,11,25,21,18/E:(5,6)(7,8)/rA:26nCCCCCCCCCCOCCCCCCOCCOCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s10;s12;d13;s14;d15;d12s16;s8s17;s15;s13;s9;s21;s22;d23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20O5
All Atoms:46
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.82445
Area:557.826
Solvation:-4.12119
Coulombic:-45.8425
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:352.38
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.89
LogP (Chemaxon):4.34

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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