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Chemical ID: 4201695
Chemical ID:
4201695
Name [?]:
methyl 2-(2-allyl-6-ethoxy-4-formyl-phenoxy)acetate
SMILES [?]:
CCOc1cc(cc(c1OCC(=O)OC)CC=C)C=O
InChi [?]:
InChI=1/C15H18O5/c1-4-6-12-7-11(9-16)8-13(19-5-2)15(12)20-10-14(17)18-3/h4,7-9H,1,5-6,10H2,2-3H3
InChi Info:
AuxInfo=1/0/N:18,1,15,17,2,16,7,5,19,11,6,8,4,12,9,20,13,14,3,10/rA:20nCCOCCCCCCOCCOOCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;s8;s16;d17;s6;d19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18O5 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.5429 |
Area: | 504.393 |
Solvation: | -6.06692 |
Coulombic: | -42.1215 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 278.3 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.49 |
LogP (Chemaxon): | 2.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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