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Chemical ID: 7469089
Chemical ID:
7469089
Name [?]:
(1-formyl-2-naphthyl) 2-(3-methylphenoxy)acetate
SMILES [?]:
Cc1cccc(c1)OCC(=O)Oc2ccc3ccccc3c2C=O
InChi [?]:
InChI=1/C20H16O4/c1-14-5-4-7-16(11-14)23-13-20(22)24-19-10-9-15-6-2-3-8-17(15)18(19)12-21/h2-12H,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,19,4,3,17,5,20,15,14,7,23,9,2,16,6,21,22,13,10,24,11,8,12/rA:24nCCCCCCCOCCOOCCCCCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;s16;d17;s18;d19;d16s20;d13s21;s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16O4 |
All Atoms: | 40 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.53973 |
Area: | 526.256 |
Solvation: | -4.61666 |
Coulombic: | -35.1826 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 320.339 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.34 |
LogP (Chemaxon): | 4.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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