Chemical ID: 5776854

CC(=O)Oc1cccc(c1)C=C(C#N)C#N
Chemical ID:
5776854
Name [?]:
[3-(2,2-dicyanovinyl)phenyl] acetate
SMILES [?]:
CC(=O)Oc1cccc(c1)C=C(C#N)C#N
InChi [?]:
InChI=1/C12H8N2O2/c1-9(15)16-12-4-2-3-10(6-12)5-11(7-13)8-14/h2-6H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,8,6,11,10,13,15,2,9,12,5,14,16,3,4/E:(7,8)(13,14)/rA:16nCCOOCCCCCCCCCNCN/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s9;d11;s12;t13;s12;t15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H8N2O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.23276
Area:405.272
Solvation:-2.89904
Coulombic:-23.9148
Bond Count [?]
All:16
Single:9
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:212.204
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.02
LogP (Chemaxon):1.84

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Descriptor Annotations

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