Chemical ID: 6908476

CC(=O)COc1c(=O)c2ccccc2oc1c3ccc(cc3)Cl
Chemical ID:
6908476
Name [?]:
3-acetonyloxy-2-(4-chlorophenyl)-chromen-4-one
SMILES [?]:
CC(=O)COc1c(=O)c2ccccc2oc1c3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H13ClO4/c1-11(20)10-22-18-16(21)14-4-2-3-5-15(14)23-17(18)12-6-8-13(19)9-7-12/h2-9H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,12,10,13,18,22,19,21,4,2,17,20,9,14,7,16,6,23,3,8,5,15/E:(6,7)(8,9)/rA:23nCCOCOCCOCCCCCCOCCCCCCCCl/rB:s1;d2;s2;s4;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s14;d6s15;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13ClO4
All Atoms:36
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.1152
Area:517.965
Solvation:-4.83393
Coulombic:-33.4406
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:328.746
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.14
LogP (Chemaxon):3.97

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Descriptor Annotations

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