Chemical ID: 7047786

Cc1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OC(=O)C(C)C
Chemical ID:
7047786
Name [?]:
[3-oxo-2-(p-tolylmethylene)benzofuran-6-yl] 2-methylpropanoate
SMILES [?]:
Cc1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OC(=O)C(C)C
InChi [?]:
InChI=1/C20H18O4/c1-12(2)20(22)23-15-8-9-16-17(11-15)24-18(19(16)21)10-14-6-4-13(3)5-7-14/h4-12H,1-3H3
InChi Info:
AuxInfo=1/0/N:23,24,1,3,7,4,6,14,13,8,16,22,2,5,15,12,17,9,10,20,11,21,19,18/E:(1,2)(4,5)(6,7)/rA:24nCCCCCCCCCCOCCCCCCOOCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;d13;s14;d15;d12s16;s9s17;s15;s19;d20;s20;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18O4
All Atoms:42
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.812
Area:541.023
Solvation:-2.71359
Coulombic:-37.1418
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:322.355
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.4
LogP (Chemaxon):4.49

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