Chemical ID: 5361190

CCOc1ccc(cc1OC)C=CC#N
Chemical ID:
5361190
Name [?]:
3-(4-ethoxy-3-methoxy-phenyl)prop-2-enenitrile
SMILES [?]:
CCOc1ccc(cc1OC)C=CC#N
InChi [?]:
InChI=1/C12H13NO2/c1-3-15-11-7-6-10(5-4-8-13)9-12(11)14-2/h4-7,9H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,13,12,6,5,14,8,7,4,9,15,10,3/rA:15nCCOCCCCCCOCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;w12;s13;t14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13NO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:5.19021
Area:394.708
Solvation:-4.67748
Coulombic:-17.7091
Bond Count [?]
All:15
Single:10
Double:4
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:203.237
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.0
LogP (Chemaxon):2.33

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