Chemical ID: 4762966

CC(=O)OC1=CC=CNC1=C(C#N)C#N
Chemical ID:
4762966
Name [?]:
[2-(dicyanomethylene)-1H-pyridin-3-yl] acetate
SMILES [?]:
CC(=O)OC1=CC=CNC1=C(C#N)C#N
InChi [?]:
InChI=1/C10H7N3O2/c1-7(14)15-9-3-2-4-13-10(9)8(5-11)6-12/h2-4,13H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,12,14,2,11,5,10,13,15,9,3,4/E:(5,6)(11,12)/rA:15nCCOOCCCCNCCCNCN/rB:s1;d2;s2;s4;d5;s6;d7;s8;s5s9;d10;s11;t12;s11;t14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H7N3O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.21861
Area:373.9
Solvation:-2.12888
Coulombic:-35.1535
Bond Count [?]
All:15
Single:9
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:201.182
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.16
LogP (Chemaxon):-0.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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