Chemical ID: 6601253

c1ccc(c(c1)C#N)OCC(=O)OCc2ccc(cc2)C#N
Chemical ID:
6601253
Name [?]:
(4-cyanophenyl)methyl 2-(2-cyanophenoxy)acetate
SMILES [?]:
c1ccc(c(c1)C#N)OCC(=O)OCc2ccc(cc2)C#N
InChi [?]:
InChI=1/C17H12N2O3/c18-9-13-5-7-14(8-6-13)11-22-17(20)12-21-16-4-2-1-3-15(16)10-19/h1-8H,11-12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,17,19,16,20,21,7,14,10,18,15,5,4,11,22,8,12,9,13/E:(5,6)(7,8)/rA:22nCCCCCCCNOCCOOCCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;t7;s4;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12N2O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.7946
Area:537.651
Solvation:-4.64667
Coulombic:-34.795
Bond Count [?]
All:23
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:292.289
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.8
LogP (Chemaxon):2.77

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Descriptor Annotations

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