UCSF

ZINC03848696

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 12 Yes

Popular Name: 1,4-Cyclohexanedicarboxylic acid 1,4-Cyclohexanedicarboxylic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 100-21-0 , 10028-70-3 , 1076-97-7 , 619-81-8 , 619-82-9 , [1076-97-7] , [619-81-8] , [619-82-9]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.49 4.12 -97.49 0 4 -2 80 170.164 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 165 - 168 Acros Organics
mp 170 - 171 MolMall (formerly Molecular Diversity Preservation International)
MP 172° Matrix Scientific
Melting_Point 402? subl. Alfa-Aesar
Melting_Point 402° subl. Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Melting_Point >300? Alfa-Aesar
Melting_Point >300° Alfa-Aesar
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )