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Chemical ID: 4949986
Chemical ID:
4949986
Name [?]:
bis(2-methoxyphenoxy)methanone
SMILES [?]:
COc1ccccc1OC(=O)Oc2ccccc2OC
InChi [?]:
InChI=1/C15H14O5/c1-17-11-7-3-5-9-13(11)19-15(16)20-14-10-6-4-8-12(14)18-2/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,5,16,6,15,4,17,7,14,3,18,8,13,10,11,2,19,9,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)(19,20)/rA:20nCOCCCCCCOCOOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14O5 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.83013 |
Area: | 461.092 |
Solvation: | -4.69716 |
Coulombic: | -48.8497 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 274.269 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.84 |
LogP (Chemaxon): | 3.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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