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Chemical ID: 6133234
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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