Chemical ID: 7469087

Cc1ccc(cc1)OCC(=O)Oc2ccc3ccccc3c2C=O
Chemical ID:
7469087
Name [?]:
(1-formyl-2-naphthyl) 2-(4-methylphenoxy)acetate
SMILES [?]:
Cc1ccc(cc1)OCC(=O)Oc2ccc3ccccc3c2C=O
InChi [?]:
InChI=1/C20H16O4/c1-14-6-9-16(10-7-14)23-13-20(22)24-19-11-8-15-4-2-3-5-17(15)18(19)12-21/h2-12H,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,19,17,20,3,7,15,4,6,14,23,9,2,16,5,21,22,13,10,24,11,8,12/E:(6,7)(9,10)/rA:24nCCCCCCCOCCOOCCCCCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;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:8.55774
Area:526.871
Solvation:-4.61403
Coulombic:-35.1444
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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