ChemDB: Chemical Search
Download
Chemical ID: 5176227
Chemical ID:
5176227
Name [?]:
ethyl 5-formyl-2-methyl-furan-3-carboxylate
SMILES [?]:
CCOC(=O)c1cc(oc1C)C=O
InChi [?]:
InChI=1/C9H10O4/c1-3-12-9(11)8-4-7(5-10)13-6(8)2/h4-5H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,7,12,10,8,6,4,13,5,3,9/rA:13nCCOCOCCCOCCCO/rB:s1;s2;s3;d4;s4;s6;d7;s8;d6s9;s10;s8;d12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H10O4 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.95132 |
Area: | 362.391 |
Solvation: | -4.10846 |
Coulombic: | -32.1078 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 182.173 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 0.93 |
LogP (Chemaxon): | 0.58 |
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 |
---|