Chemical ID: 4919362

CCOC(=O)C=Cc1ccc(cc1)C#N
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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Descriptor Annotations

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