ChemDB: Chemical Search
Download
Chemical ID: 6689285
Chemical ID:
6689285
Name [?]:
methyl 2-methoxynaphthalene-1-carboxylate
SMILES [?]:
COc1ccc2ccccc2c1C(=O)OC
InChi [?]:
InChI=1/C13H12O3/c1-15-11-8-7-9-5-3-4-6-10(9)12(11)13(14)16-2/h3-8H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,8,9,7,10,5,4,6,11,3,12,13,14,2,15/rA:16nCOCCCCCCCCCCCOOC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;d3s11;s12;d13;s13;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H12O3 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.55053 |
Area: | 388.69 |
Solvation: | -3.16672 |
Coulombic: | -28.2262 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 216.233 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.14 |
LogP (Chemaxon): | 2.34 |
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 |
---|