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Chemical ID: 3998556
Chemical ID:
3998556
Name [?]:
1-(7-methoxybenzofuran-2-yl)ethanone
SMILES [?]:
CC(=O)c1cc2cccc(c2o1)OC
InChi [?]:
InChI=1/C11H10O3/c1-7(12)10-6-8-4-3-5-9(13-2)11(8)14-10/h3-6H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,8,7,9,5,2,6,10,4,11,3,13,12/rA:14nCCOCCCCCCCCOOC/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;d6s10;s4s11;s10;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H10O3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.40545 |
Area: | 357.874 |
Solvation: | -3.5414 |
Coulombic: | -23.818 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 190.195 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.83 |
LogP (Chemaxon): | 1.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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