Chemical ID: 7469089

Cc1cccc(c1)OCC(=O)Oc2ccc3ccccc3c2C=O
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

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Descriptor Annotations

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