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Chemical ID: 4254038
Chemical ID:
4254038
Name [?]:
3-ethoxy-4-(p-tolylmethoxy)benzaldehyde
SMILES [?]:
CCOc1cc(ccc1OCc2ccc(cc2)C)C=O
InChi [?]:
InChI=1/C17H18O3/c1-3-19-17-10-15(11-18)8-9-16(17)20-12-14-6-4-13(2)5-7-14/h4-11H,3,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,2,14,16,13,17,7,8,5,19,11,15,12,6,9,4,20,3,10/E:(4,5)(6,7)/rA:20nCCOCCCCCCOCCCCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s6;d19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.57387 |
Area: | 494.399 |
Solvation: | -5.78609 |
Coulombic: | -22.5012 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 270.323 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.85 |
LogP (Chemaxon): | 3.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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