Chemical ID: 7039339

c1ccc(cc1)C=CC(=O)c2ccc(cc2)OC(=O)c3ccc4c(c3)OCO4
Chemical ID:
7039339
Name [?]:
[4-(3-phenylprop-2-enoyl)phenyl] benzo[1,3]dioxole-5-carboxylate
SMILES [?]:
c1ccc(cc1)C=CC(=O)c2ccc(cc2)OC(=O)c3ccc4c(c3)OCO4
InChi [?]:
InChI=1/C23H16O5/c24-20(12-6-16-4-2-1-3-5-16)17-7-10-19(11-8-17)28-23(25)18-9-13-21-22(14-18)27-15-26-21/h1-14H,15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,7,12,16,21,13,15,8,22,25,27,4,11,20,14,9,23,24,18,10,19,28,26,17/E:(2,3)(4,5)(7,8)(10,11)/rA:28nCCCCCCCCCOCCCCCCOCOCCCCCCOCO/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;d18;s18;s20;d21;s22;d23;d20s24;s24;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H16O5
All Atoms:44
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.8643
Area:612.807
Solvation:-4.45591
Coulombic:-46.7297
Bond Count [?]
All:31
Single:19
Double:12
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:372.37
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.11
LogP (Chemaxon):4.93

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