Chemical ID: 6847385

Cc1cc(c2c(c1)oc(c(c2=O)OC(=O)C(C)C)c3ccc(cc3)OC)C
Chemical ID:
6847385
Name [?]:
[2-(4-methoxyphenyl)-5,7-dimethyl-4-oxo-chromen-3-yl] 2-methylpropanoate
SMILES [?]:
Cc1cc(c2c(c1)oc(c(c2=O)OC(=O)C(C)C)c3ccc(cc3)OC)C
InChi [?]:
InChI=1/C22H22O5/c1-12(2)22(24)27-21-19(23)18-14(4)10-13(3)11-17(18)26-20(21)15-6-8-16(25-5)9-7-15/h6-12H,1-5H3
InChi Info:
AuxInfo=1/0/N:17,18,1,27,26,20,24,21,23,3,7,16,2,4,19,22,6,5,11,9,10,14,12,15,25,8,13/E:(1,2)(6,7)(8,9)/rA:27nCCCCCCCOCCCOOCOCCCCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s5s10;d11;s10;s13;d14;s14;s16;s16;s9;s19;d20;s21;d22;d19s23;s22;s25;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22O5
All Atoms:49
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.2155
Area:558.341
Solvation:-3.74302
Coulombic:-44.4353
Bond Count [?]
All:29
Single:20
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:366.407
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.08
LogP (Chemaxon):4.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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