Chemical ID: 5148467

CC(=CC(=O)O)C(=O)O
Chemical ID:
5148467
Name [?]:
3-methylbut-2-enedioic acid
SMILES [?]:
CC(=CC(=O)O)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C5H6O4
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:4.70875
Area:280.842
Solvation:-2.3123
Coulombic:-53.0707
Bond Count [?]
All:8
Single:5
Double:3
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:130.099
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:-0.27
LogP (Chemaxon):0.32

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