ChemDB: Chemical Search
Download
Chemical ID: 6148050
Chemical ID:
6148050
Name [?]:
2-[2-[2-(carboxymethoxy)phenyl]phenoxy]acetic acid
SMILES [?]:
c1ccc(c(c1)c2ccccc2OCC(=O)O)OCC(=O)O
InChi [?]:
InChI=1/C16H14O6/c17-15(18)9-21-13-7-3-1-5-11(13)12-6-2-4-8-14(12)22-10-16(19)20/h1-8H,9-10H2,(H,17,18)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,9,2,10,6,8,3,11,19,14,5,7,4,12,20,15,21,22,16,17,18,13/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18,19,20)(21,22)/gE:(1,2)/rA:22nCCCCCCCCCCCCOCCOOOCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s12;s13;s14;d15;s15;s4;s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14O6 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.91389 |
Area: | 492.463 |
Solvation: | -6.3977 |
Coulombic: | -68.9306 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 302.279 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.56 |
LogP (Chemaxon): | 2.31 |
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 |
---|