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Chemical ID: 4919362
Chemical ID:
4919362
Name [?]:
ethyl 3-(4-cyanophenyl)prop-2-enoate
SMILES [?]:
CCOC(=O)C=Cc1ccc(cc1)C#N
InChi [?]:
InChI=1/C12H11NO2/c1-2-15-12(14)8-7-10-3-5-11(9-13)6-4-10/h3-8H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,9,13,10,12,7,6,14,8,11,4,15,5,3/E:(3,4)(5,6)/rA:15nCCOCOCCCCCCCCCN/rB:s1;s2;s3;d4;s4;w6;s7;s8;d9;s10;d11;d8s12;s11;t14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H11NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.80239 |
Area: | 397.708 |
Solvation: | -2.14031 |
Coulombic: | -23.8632 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 201.221 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.38 |
LogP (Chemaxon): | 2.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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