Chemical ID: 7047818

CC(C)c1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OC(=O)c4ccco4
Chemical ID:
7047818
Name [?]:
[2-[(4-isopropylphenyl)methylene]-3-oxo-benzofuran-6-yl] furan-2-carboxylate
SMILES [?]:
CC(C)c1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OC(=O)c4ccco4
InChi [?]:
InChI=1/C23H18O5/c1-14(2)16-7-5-15(6-8-16)12-21-22(24)18-10-9-17(13-20(18)28-21)27-23(25)19-4-3-11-26-19/h3-14H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,26,25,6,8,5,9,16,15,27,10,18,2,7,4,17,14,24,19,11,12,22,13,23,28,21,20/E:(1,2)(5,6)(7,8)/rA:28nCCCCCCCCCCCCOCCCCCCOOCOCCCCO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;s14;d15;s16;d17;d14s18;s11s19;s17;s21;d22;s22;d24;s25;d26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H18O5
All Atoms:46
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.587
Area:604.991
Solvation:-3.53773
Coulombic:-47.0765
Bond Count [?]
All:31
Single:20
Double:11
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:374.386
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.24
LogP (Chemaxon):4.7

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