Chemical ID: 4997457

c1ccc(c(c1)OCCC(=O)O)Cl
Chemical ID:
4997457
Name [?]:
3-(2-chlorophenoxy)propanoic acid
SMILES [?]:
c1ccc(c(c1)OCCC(=O)O)Cl
InChi [?]:
InChI=1/C9H9ClO3/c10-7-3-1-2-4-8(7)13-6-5-9(11)12/h1-4H,5-6H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,9,8,4,5,10,13,11,12,7/E:(11,12)/rA:13nCCCCCCOCCCOOCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s10;s4;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9ClO3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.69577
Area:373.119
Solvation:-2.63221
Coulombic:-34.7103
Bond Count [?]
All:13
Single:9
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:200.619
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.1
LogP (Chemaxon):2.03

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