Chemical ID: 6908500

CC(=O)COc1c(=O)c2ccccc2oc1c3ccc(cc3)OC
Chemical ID:
6908500
Name [?]:
3-acetonyloxy-2-(4-methoxyphenyl)-chromen-4-one
SMILES [?]:
CC(=O)COc1c(=O)c2ccccc2oc1c3ccc(cc3)OC
InChi [?]:
InChI=1/C19H16O5/c1-12(20)11-23-19-17(21)15-5-3-4-6-16(15)24-18(19)13-7-9-14(22-2)10-8-13/h3-10H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,11,12,10,13,18,22,19,21,4,2,17,20,9,14,7,16,6,3,8,23,5,15/E:(7,8)(9,10)/rA:24nCCOCOCCOCCCCCCOCCCCCCCOC/rB:s1;d2;s2;s4;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s14;d6s15;s16;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:6.89362
Area:519.017
Solvation:-6.08182
Coulombic:-39.6278
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:324.327
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.43
LogP (Chemaxon):3.2

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Experimental Annotations

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Descriptor Annotations

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