Chemical ID: 3998556

CC(=O)c1cc2cccc(c2o1)OC
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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