Chemical ID: 7178026

CCCOc1ccc(cc1OC)C=C(C#N)C(=O)OC
Chemical ID:
7178026
Name [?]:
methyl 2-cyano-3-(3-methoxy-4-propoxy-phenyl)-prop-2-enoate
SMILES [?]:
CCCOc1ccc(cc1OC)C=C(C#N)C(=O)OC
InChi [?]:
InChI=1/C15H17NO4/c1-4-7-20-13-6-5-11(9-14(13)18-2)8-12(10-16)15(17)19-3/h5-6,8-9H,4,7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,20,2,7,6,3,13,9,15,8,14,5,10,17,16,18,11,19,4/rA:20nCCCOCCCCCCOCCCCNCOOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;w13;s14;t15;s14;d17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17NO4
All Atoms:37
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:6.7354
Area:493.561
Solvation:-5.60362
Coulombic:-36.9969
Bond Count [?]
All:20
Single:14
Double:5
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:275.3
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.79
LogP (Chemaxon):2.34

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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