Chemical ID: 6856376

Cc1ccc2c(c1)oc(c(c2=O)OC(=O)C)c3ccc(cc3)OC
Chemical ID:
6856376
Name [?]:
[2-(4-methoxyphenyl)-7-methyl-4-oxo-chromen-3-yl] acetate
SMILES [?]:
Cc1ccc2c(c1)oc(c(c2=O)OC(=O)C)c3ccc(cc3)OC
InChi [?]:
InChI=1/C19H16O5/c1-11-4-9-15-16(10-11)24-18(19(17(15)21)23-12(2)20)13-5-7-14(22-3)8-6-13/h4-10H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,24,3,18,22,19,21,4,7,2,14,17,20,5,6,11,9,10,15,12,23,13,8/E:(5,6)(7,8)/rA:24nCCCCCCCOCCCOOCOCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s5s10;d11;s10;s13;d14;s14;s9;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16O5
All Atoms:40
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.77318
Area:512.883
Solvation:-4.0489
Coulombic:-42.9996
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:324.327
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.09
LogP (Chemaxon):3.33

Name Annotations

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Descriptor Annotations

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