Chemical ID: 4279458

CCOc1ccccc1C=C(C#N)C#N
Chemical ID:
4279458
Name [?]:
2-[(2-ethoxyphenyl)methylene]propanedinitrile
SMILES [?]:
CCOc1ccccc1C=C(C#N)C#N
InChi [?]:
InChI=1/C12H10N2O/c1-2-15-12-6-4-3-5-11(12)7-10(8-13)9-14/h3-7H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,6,8,5,10,12,14,11,9,4,13,15,3/E:(8,9)(13,14)/rA:15nCCOCCCCCCCCCNCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s11;t12;s11;t14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10N2O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.58067
Area:399.567
Solvation:-2.40851
Coulombic:-15.2939
Bond Count [?]
All:15
Single:9
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:198.221
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.58
LogP (Chemaxon):2.43

Name Annotations

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Descriptor Annotations

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