ChemDB: Chemical Search
Download
Chemical ID: 6693069
Chemical ID:
6693069
Name [?]:
ethyl 2-(m-tolyl)acetate
SMILES [?]:
CCOC(=O)Cc1cccc(c1)C
InChi [?]:
InChI=1/C11H14O2/c1-3-13-11(12)8-10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,9,10,8,12,6,11,7,4,5,3/rA:13nCCOCOCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14O2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.26222 |
Area: | 368.847 |
Solvation: | -1.95895 |
Coulombic: | -19.3169 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 178.228 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.63 |
LogP (Chemaxon): | 2.52 |
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 |
---|