Chemical ID: 6519776

CCOc1c2ccccc2c(c3c1cccc3)OCC
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

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Descriptor Annotations

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