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Chemical ID: 6658476
Chemical ID:
6658476
Name [?]:
ethyl 2-cyano-3-ethyl-pent-2-enoate
SMILES [?]:
CCC(=C(C#N)C(=O)OCC)CC
InChi [?]:
InChI=1/C10H15NO2/c1-4-8(5-2)9(7-11)10(12)13-6-3/h4-6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,13,11,2,12,10,5,3,4,7,6,8,9/E:(1,2)(4,5)/rA:13nCCCCCNCOOCCCC/rB:s1;s2;d3;s4;t5;s4;d7;s7;s9;s10;s3;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H15NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.94529 |
Area: | 376.622 |
Solvation: | -1.47027 |
Coulombic: | -24.1232 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 181.232 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.69 |
LogP (Chemaxon): | 2.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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