ChemDB: Chemical Search
Download
Chemical ID: 6680834
Chemical ID:
6680834
Name [?]:
methyl 4-hydroxy-3-methoxy-benzoate
SMILES [?]:
COc1cc(ccc1O)C(=O)OC
InChi [?]:
InChI=1/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,6,7,4,5,8,3,10,9,11,2,12/rA:13nCOCCCCCCOCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;d10;s10;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H10O4 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.88548 |
Area: | 349.996 |
Solvation: | -3.86443 |
Coulombic: | -42.5889 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 182.173 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.47 |
LogP (Chemaxon): | 1.06 |
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 |
---|