Chemical ID: 6726623

Cc1cccc(c1)CC(CC(=O)[O-])C(=O)[O-]
Chemical ID:
6726623
Name [?]:
3-(m-tolylmethyl)butanedioate
SMILES [?]:
Cc1cccc(c1)CC(CC(=O)[O-])C(=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H12O4-2
All Atoms:28
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:-112.118
Area:395.808
Solvation:-122.013
Coulombic:41.8067
Bond Count [?]
All:16
Single:11
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:220.221
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.5
LogP (Chemaxon):2.27

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