UCSF

ZINC00057573

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 No

Popular Name: Diethyl cyclobutane-1,1-dicarboxylate Diethyl cyclobutane-1,1-dicarbox…

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CAS Numbers: 3779-29-1 , [3779-29-1]

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) 1.53 6.84 -6.16 0 4 0 53 200.234 6 ↓

Vendor Notes

Note Type Comments Provided By
BP 226 TCI
MP 54 - 57 Enamine Building Blocks
MP 54...57 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Boiling_Point 96-98?/8mm Alfa-Aesar
Boiling_Point 96-98°/8mm Alfa-Aesar
PUBCHEM_PATENT_ID US4220795 IBM Patent Data

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