Chemical ID: 7044731

Cc1cccc(c1)C=C2C(=O)c3ccc(cc3O2)OCC(=O)OC
Chemical ID:
7044731
Name [?]:
methyl 2-[2-(m-tolylmethylene)-3-oxo-benzofuran-6-yl]oxyacetate
SMILES [?]:
Cc1cccc(c1)C=C2C(=O)c3ccc(cc3O2)OCC(=O)OC
InChi [?]:
InChI=1/C19H16O5/c1-12-4-3-5-13(8-12)9-17-19(21)15-7-6-14(10-16(15)24-17)23-11-18(20)22-2/h3-10H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,4,3,5,14,13,7,8,16,20,2,6,15,12,17,9,21,10,22,11,23,19,18/rA:24nCCCCCCCCCCOCCCCCCOOCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;d10;s10;s12;d13;s14;d15;d12s16;s9s17;s15;s19;s20;d21;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16O5
All Atoms:40
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.91329
Area:544.241
Solvation:-4.69274
Coulombic:-44.4086
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:324.327
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.69
LogP (Chemaxon):3.12

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