Chemical ID: 5821813

COc1ccccc1OCc2ccc(o2)C(=O)O
Chemical ID:
5821813
Name [?]:
5-[(2-methoxyphenoxy)methyl]furan-2-carboxylic acid
SMILES [?]:
COc1ccccc1OCc2ccc(o2)C(=O)O
InChi [?]:
InChI=1/C13H12O5/c1-16-10-4-2-3-5-11(10)17-8-9-6-7-12(18-9)13(14)15/h2-7H,8H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,7,12,13,10,11,3,8,14,16,17,18,2,9,15/E:(14,15)/rA:18nCOCCCCCCOCCCCCOCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s12;d13;s11s14;s14;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12O5
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:5.1014
Area:441.242
Solvation:-5.92964
Coulombic:-50.6863
Bond Count [?]
All:19
Single:13
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:248.231
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.62
LogP (Chemaxon):1.55

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue