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Chemical ID: 6908500
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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