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Chemical ID: 6519776
Chemical ID:
6519776
Name [?]:
9,10-diethoxyanthracene
SMILES [?]:
CCOc1c2ccccc2c(c3c1cccc3)OCC
InChi [?]:
InChI=1/C18H18O2/c1-3-19-17-13-9-5-7-11-15(13)18(20-4-2)16-12-8-6-10-14(16)17/h5-12H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,2,19,7,15,8,16,6,14,9,17,5,13,10,12,4,11,3,18/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(13,14,15,16)(17,18)(19,20)/rA:20nCCOCCCCCCCCCCCCCCOCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;d11;d4s12;s13;d14;s15;s12d16;s11;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.7909 |
Area: | 451.314 |
Solvation: | -2.49194 |
Coulombic: | -18.8665 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 266.334 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.23 |
LogP (Chemaxon): | 4.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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