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Chemical ID: 4733707
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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