Chemical ID: 4733707

CCOC(=O)C=Cc1ccc(c(c1)OC)OC
Chemical ID:
4733707
Name [?]:
ethyl 3-(3,4-dimethoxyphenyl)prop-2-enoate
SMILES [?]:
CCOC(=O)C=Cc1ccc(c(c1)OC)OC
InChi [?]:
InChI=1/C13H16O4/c1-4-17-13(14)8-6-10-5-7-11(15-2)12(9-10)16-3/h5-9H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,15,2,9,7,10,6,13,8,11,12,4,5,16,14,3/rA:17nCCOCOCCCCCCCCOCOC/rB:s1;s2;s3;d4;s4;w6;s7;s8;d9;s10;d11;d8s12;s12;s14;s11;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16O4
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:5.41912
Area:424.007
Solvation:-5.18106
Coulombic:-33.6917
Bond Count [?]
All:17
Single:12
Double:5
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:236.264
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.21
LogP (Chemaxon):2.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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