Chemical ID: 6856292

Cc1ccc2c(c1)oc(c(c2=O)OCC(=O)C)c3ccc(cc3)Cl
Chemical ID:
6856292
Name [?]:
3-acetonyloxy-2-(4-chlorophenyl)-7-methyl-chromen-4-one
SMILES [?]:
Cc1ccc2c(c1)oc(c(c2=O)OCC(=O)C)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H15ClO4/c1-11-3-8-15-16(9-11)24-18(13-4-6-14(20)7-5-13)19(17(15)22)23-10-12(2)21/h3-9H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,3,19,23,20,22,4,7,14,2,15,18,21,5,6,11,9,10,24,16,12,13,8/E:(4,5)(6,7)/rA:24nCCCCCCCOCCCOOCCOCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s5s10;d11;s10;s13;s14;d15;s15;s9;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15ClO4
All Atoms:39
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.51873
Area:536.042
Solvation:-4.88232
Coulombic:-33.1936
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:342.773
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.58
LogP (Chemaxon):4.44

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