Chemical ID: 4182533

COc1ccc(cc1OC)C=C(C#N)c2ccc(c(c2)OC)OC
Chemical ID:
4182533
Name [?]:
2,3-bis(3,4-dimethoxyphenyl)prop-2-enenitrile
SMILES [?]:
COc1ccc(cc1OC)C=C(C#N)c2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C19H19NO4/c1-21-16-7-5-13(10-18(16)23-3)9-15(12-20)14-6-8-17(22-2)19(11-14)24-4/h5-11H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,24,10,22,5,16,4,17,11,7,20,13,6,15,12,3,18,8,19,14,2,23,9,21/rA:24nCOCCCCCCOCCCCNCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;t13;s12;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19NO4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:5.15987
Area:546.678
Solvation:-8.50708
Coulombic:-31.8064
Bond Count [?]
All:25
Single:17
Double:7
Rotors:6
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:325.358
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.0
LogP (Chemaxon):2.97

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