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Chemical ID: 6466647
Chemical ID:
6466647
Name [?]:
1,2,3-trimethoxy-4-(2,3,4-trimethoxyphenyl)-benzene
SMILES [?]:
COc1ccc(c(c1OC)OC)c2ccc(c(c2OC)OC)OC
InChi [?]:
InChI=1/C18H22O6/c1-19-13-9-7-11(15(21-3)17(13)23-5)12-8-10-14(20-2)18(24-6)16(12)22-4/h7-10H,1-6H3
InChi Info:
AuxInfo=1/0/N:1,24,12,20,10,22,5,14,4,15,6,13,3,16,7,18,8,17,2,23,11,19,9,21/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/rA:24nCOCCCCCCOCOCCCCCCCOCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s6;s13;d14;s15;d16;d13s17;s18;s19;s17;s21;s16;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22O6 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.10257 |
Area: | 518.375 |
Solvation: | -8.85681 |
Coulombic: | -44.723 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 334.364 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 2.65 |
LogP (Chemaxon): | 2.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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