Chemical ID: 5023785

CCOC(=O)c1ccccc1C#N
Chemical ID:
5023785
Name [?]:
ethyl 2-cyanobenzoate
SMILES [?]:
CCOC(=O)c1ccccc1C#N
InChi [?]:
InChI=1/C10H9NO2/c1-2-13-10(12)9-6-4-3-5-8(9)7-11/h3-6H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,9,8,10,7,12,11,6,4,13,5,3/rA:13nCCOCOCCCCCCCN/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;t12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9NO2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.84804
Area:355.225
Solvation:-2.03259
Coulombic:-23.5944
Bond Count [?]
All:13
Single:8
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:175.184
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.1
LogP (Chemaxon):1.75

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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