Chemical ID: 5012826

COc1ccc(cc1OC)CC(=O)OCC=C
Chemical ID:
5012826
Name [?]:
allyl 2-(3,4-dimethoxyphenyl)acetate
SMILES [?]:
COc1ccc(cc1OC)CC(=O)OCC=C
InChi [?]:
InChI=1/C13H16O4/c1-4-7-17-13(14)9-10-5-6-11(15-2)12(8-10)16-3/h4-6,8H,1,7,9H2,2-3H3
InChi Info:
AuxInfo=1/0/N:17,1,10,16,5,4,15,7,11,6,3,8,12,13,2,9,14/rA:17nCOCCCCCCOCCCOOCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s12;s14;s15;d16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16O4
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:5.58263
Area:444.488
Solvation:-5.52956
Coulombic:-33.6003
Bond Count [?]
All:17
Single:12
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:236.264
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.95
LogP (Chemaxon):1.94

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Descriptor Annotations

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