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Chemical ID: 4860599
Chemical ID:
4860599
Name [?]:
2-(2-methoxyphenyl)-6-methyl-chromen-4-one
SMILES [?]:
Cc1ccc2c(c1)c(=O)cc(o2)c3ccccc3OC
InChi [?]:
InChI=1/C17H14O3/c1-11-7-8-16-13(9-11)14(18)10-17(20-16)12-5-3-4-6-15(12)19-2/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,15,16,14,17,3,4,7,10,2,13,6,8,18,5,11,9,19,12/rA:20nCCCCCCCCOCCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.40802 |
Area: | 448.131 |
Solvation: | -3.79526 |
Coulombic: | -24.1675 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 266.291 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.98 |
LogP (Chemaxon): | 3.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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