ChemDB: Chemical Search
Download
Chemical ID: 6129518
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|