UCSF

ZINC00157284

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 14 Yes

Popular Name: 1,1-Cyclohexanediacetic acid 1,1-Cyclohexanediacetic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 11/7/4355 12:00:00 AM , 4355-11-7 , 4355/11/7 , 9355-11-7 , [4355-11-7]

Download: MOL2 SDF SMILES Flexibase

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) 1.33 4.73 -109.82 0 4 -2 80 198.218 4 ↓

Vendor Notes

Note Type Comments Provided By
BP 115-133°/1.5 Torr Matrix Scientific
Melting_Point 178-182? Alfa-Aesar
Melting_Point 178-182° Alfa-Aesar
MP 181 TCI
MP 181 - 185 Enamine Building Blocks
MP 181...185 Enamine Building Blocks
MP 181° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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