Chemical ID: 4573431

COc1cccc(c1OC)C=C2C(=O)c3ccc(cc3O2)OCC(=O)OCC=C
Chemical ID:
4573431
Name [?]:
allyl 2-[2-[(2,3-dimethoxyphenyl)methylene]-3-oxo-benzofuran-6-yl]oxyacetate
SMILES [?]:
COc1cccc(c1OC)C=C2C(=O)c3ccc(cc3O2)OCC(=O)OCC=C
InChi [?]:
InChI=1/C22H20O7/c1-4-10-27-20(23)13-28-15-8-9-16-18(12-15)29-19(21(16)24)11-14-6-5-7-17(25-2)22(14)26-3/h4-9,11-12H,1,10,13H2,2-3H3
InChi Info:
AuxInfo=1/0/N:29,1,10,28,5,6,4,17,16,27,11,19,23,7,18,15,3,20,12,24,13,8,25,14,2,9,26,22,21/rA:29nCOCCCCCCOCCCCOCCCCCCOOCCOOCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s12s20;s18;s22;s23;d24;s24;s26;s27;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H20O7
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:8.49152
Area:631.643
Solvation:-7.29954
Coulombic:-60.0422
Bond Count [?]
All:31
Single:21
Double:10
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:396.39
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:3.43
LogP (Chemaxon):2.89

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Descriptor Annotations

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