Chemical ID: 4254789

CCOC(=O)C(=Cc1ccccc1OCCO)C#N
Chemical ID:
4254789
Name [?]:
ethyl 2-cyano-3-[2-(2-hydroxyethoxy)phenyl]-prop-2-enoate
SMILES [?]:
CCOC(=O)C(=Cc1ccccc1OCCO)C#N
InChi [?]:
InChI=1/C14H15NO4/c1-2-18-14(17)12(10-15)9-11-5-3-4-6-13(11)19-8-7-16/h3-6,9,16H,2,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,11,9,12,16,15,7,18,8,6,13,4,19,17,5,3,14/rA:19nCCOCOCCCCCCCCOCCOCN/rB:s1;s2;s3;d4;s4;w6;s7;s8;d9;s10;d11;d8s12;s13;s14;s15;s16;s6;t18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15NO4
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.10291
Area:476.573
Solvation:-4.81142
Coulombic:-46.9796
Bond Count [?]
All:19
Single:13
Double:5
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:261.273
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.08
LogP (Chemaxon):1.68

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Experimental Annotations

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Descriptor Annotations

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