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Chemical ID: 4254022
Chemical ID:
4254022
Name [?]:
4-methoxy-3-(p-tolylmethoxy)benzaldehyde
SMILES [?]:
Cc1ccc(cc1)COc2cc(ccc2OC)C=O
InChi [?]:
InChI=1/C16H16O3/c1-12-3-5-13(6-4-12)11-19-16-9-14(10-17)7-8-15(16)18-2/h3-10H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,3,7,4,6,13,14,11,18,8,2,5,12,15,10,19,16,9/E:(3,4)(5,6)/rA:19nCCCCCCCCOCCCCCCOCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s12;d18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16O3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.79319 |
Area: | 467.85 |
Solvation: | -5.90307 |
Coulombic: | -22.2061 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 256.296 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.43 |
LogP (Chemaxon): | 3.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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