Chemical ID: 4977090

CC(CC(=O)O)c1cccc(c1)OC
Chemical ID:
4977090
Name [?]:
3-(3-methoxyphenyl)butanoic acid
SMILES [?]:
CC(CC(=O)O)c1cccc(c1)OC
InChi [?]:
InChI=1/C11H14O3/c1-8(6-11(12)13)9-4-3-5-10(7-9)14-2/h3-5,7-8H,6H2,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,14,9,8,10,3,12,2,7,11,4,5,6,13/E:(12,13)/rA:14cCCCCOOCCCCCCOC/rB:s1;s2;s3;d4;s4;s2;s7;d8;s9;d10;d7s11;s11;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14O3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:6.24156
Area:374.488
Solvation:-3.12065
Coulombic:-33.9541
Bond Count [?]
All:14
Single:10
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:194.227
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.04
LogP (Chemaxon):2.15

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