Chemical ID: 6836351

Cc1ccc(cc1)C(=O)[O-]
Chemical ID:
6836351
Name [?]:
4-methylbenzoate
SMILES [?]:
Cc1ccc(cc1)C(=O)[O-]
InChi [?]:
InChI=1/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)/p-1
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,2,5,8,9,10/E:(2,3)(4,5)(9,10)/rA:10nCCCCCCCCOO-/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7O2-
All Atoms:17
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:-35.7569
Area:290.956
Solvation:-43.0308
Coulombic:-1.16606
Bond Count [?]
All:10
Single:6
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:135.14
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.59
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