Chemical ID: 6133234

c1ccc2c(c1)OC(=Cc3ccco3)O2
Chemical ID:
6133234
Name [?]:
2-(2-furylmethylene)benzo[1,3]dioxole
SMILES [?]:
c1ccc2c(c1)OC(=Cc3ccco3)O2
InChi [?]:
InChI=1/C12H8O3/c1-2-6-11-10(5-1)14-12(15-11)8-9-4-3-7-13-9/h1-8H
InChi Info:
AuxInfo=1/0/N:1,2,12,11,6,3,13,9,10,5,4,8,14,7,15/E:(1,2)(5,6)(10,11)(14,15)/rA:15nCCCCCCOCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s11;d12;s10s13;s4s8;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H8O3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:5.89133
Area:365.581
Solvation:-3.24821
Coulombic:-23.6133
Bond Count [?]
All:17
Single:11
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:200.19
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.74
LogP (Chemaxon):2.93

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Descriptor Annotations

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