Chemical ID: 6681577

C(CCCCC(=O)O)CCCC=CC(=O)O
Chemical ID:
6681577
Name [?]:
dodec-2-enedioic acid
SMILES [?]:
C(CCCCC(=O)O)CCCC=CC(=O)O
InChi [?]:
InChI=1/C12H20O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h7,9H,1-6,8,10H2,(H,13,14)(H,15,16)
InChi Info:
AuxInfo=1/1/N:9,1,10,2,11,3,12,4,13,5,14,6,15,16,7,8/E:(13,14)(15,16)/rA:16nCCCCCCOOCCCCCCOO/rB:s1;s2;s3;s4;s5;d6;s6;s1;s9;s10;s11;w12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H20O4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.04802
Area:473.143
Solvation:-2.78057
Coulombic:-54.5176
Bond Count [?]
All:15
Single:12
Double:3
Rotors:10
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:228.285
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.31
LogP (Chemaxon):2.87

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