Chemical ID: 7340553

CN(C)C(=O)Oc1ccc2c(c1)OC(=Cc3ccc4c(c3)OCO4)C2=O
Chemical ID:
7340553
Name [?]:
[2-(benzo[1,3]dioxol-5-ylmethylene)-3-oxo-benzofuran-6-yl] dimethylaminoformate
SMILES [?]:
CN(C)C(=O)Oc1ccc2c(c1)OC(=Cc3ccc4c(c3)OCO4)C2=O
InChi [?]:
InChI=1/C19H15NO6/c1-20(2)19(22)25-12-4-5-13-15(9-12)26-17(18(13)21)8-11-3-6-14-16(7-11)24-10-23-14/h3-9H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,17,8,9,18,21,15,12,23,16,7,10,19,11,20,14,25,4,2,26,5,24,22,6,13/E:(1,2)/rA:26nCNCCOOCCCCCCOCCCCCCCCOCOCO/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19s23;s10s14;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15NO6
All Atoms:41
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.81493
Area:560.543
Solvation:-4.19864
Coulombic:-62.7001
Bond Count [?]
All:29
Single:20
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:353.326
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:2.96
LogP (Chemaxon):2.74

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Descriptor Annotations

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