Chemical ID: 6874759

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccccc3Cl)OCC(=O)[O-]
Chemical ID:
6874759
Name [?]:
2-[2-(2-chlorophenyl)-6-methyl-4-oxo-chromen-3-yl]oxyacetate
SMILES [?]:
Cc1ccc2c(c1)c(=O)c(c(o2)c3ccccc3Cl)OCC(=O)[O-]
InChi [?]:
InChI=1/C18H13ClO5/c1-10-6-7-14-12(8-10)16(22)18(23-9-15(20)21)17(24-14)11-4-2-3-5-13(11)19/h2-8H,9H2,1H3,(H,20,21)/p-1
InChi Info:
AuxInfo=1/1/N:1,15,16,14,17,3,4,7,21,2,13,6,18,5,22,8,11,10,19,23,24,9,20,12/E:(20,21)/rA:24nCCCCCCCCOCCOCCCCCCClOCCOO-/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s18;s10;s20;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12ClO5-
All Atoms:36
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-32.4485
Area:513.942
Solvation:-45.297
Coulombic:-27.9866
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:343.738
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.83
LogP (Chemaxon):3.89

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