Chemical ID: 6129518

CCC(=O)c1ccc2c(c1)CCO2
Chemical ID:
6129518
Name [?]:
1-(2,3-dihydrobenzofuran-5-yl)propan-1-one
SMILES [?]:
CCC(=O)c1ccc2c(c1)CCO2
InChi [?]:
InChI=1/C11H12O2/c1-2-10(12)8-3-4-11-9(7-8)5-6-13-11/h3-4,7H,2,5-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,6,7,11,12,10,5,9,3,8,4,13/rA:13nCCCOCCCCCCCCO/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s9;s11;s8s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.80532
Area:344.128
Solvation:-2.79787
Coulombic:-15.3548
Bond Count [?]
All:14
Single:10
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:176.212
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.88
LogP (Chemaxon):1.71

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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