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Chemical ID: 7088877
Chemical ID:
7088877
Name [?]:
1-methoxy-4-(3-methoxyphenyl)-benzene
SMILES [?]:
COc1ccc(cc1)c2cccc(c2)OC
InChi [?]:
InChI=1/C14H14O2/c1-15-13-8-6-11(7-9-13)12-4-3-5-14(10-12)16-2/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,11,10,12,5,7,4,8,14,6,9,3,13,2,15/E:(6,7)(8,9)/rA:16nCOCCCCCCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;d9s13;s13;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14O2 |
All Atoms: | 30 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.43861 |
Area: | 399.534 |
Solvation: | -3.54973 |
Coulombic: | -16.3041 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 214.26 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.79 |
LogP (Chemaxon): | 3.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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