ChemDB: Chemical Search
Download
Chemical ID: 4736372
Chemical ID:
4736372
Name [?]:
(4-formyl-2-methoxy-phenyl) acetate
SMILES [?]:
CC(=O)Oc1ccc(cc1OC)C=O
InChi [?]:
InChI=1/C10H10O4/c1-7(12)14-9-4-3-8(6-11)5-10(9)13-2/h3-6H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,7,6,9,13,2,8,5,10,14,3,11,4/rA:14nCCOOCCCCCCOCCO/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;d13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10O4 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.31638 |
Area: | 368.831 |
Solvation: | -4.90439 |
Coulombic: | -30.5728 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 194.184 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.15 |
LogP (Chemaxon): | 0.97 |
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 |
---|