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Chemical ID: 6682190
Chemical ID:
6682190
Name [?]:
1-benzyloxy-2-methoxy-4-vinyl-benzene
SMILES [?]:
COc1cc(ccc1OCc2ccccc2)C=C
InChi [?]:
InChI=1/C16H16O2/c1-3-13-9-10-15(16(11-13)17-2)18-12-14-7-5-4-6-8-14/h3-11H,1,12H2,2H3
InChi Info:
AuxInfo=1/0/N:18,1,17,14,13,15,12,16,6,7,4,10,5,11,8,3,2,9/E:(5,6)(7,8)/rA:18nCOCCCCCCOCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s5;d17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.81807 |
Area: | 448.631 |
Solvation: | -4.39771 |
Coulombic: | -18.0665 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 240.297 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.23 |
LogP (Chemaxon): | 3.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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