UCSF

ZINC06205881

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2006 14 No

Popular Name: Ethyl 3-oxo-3-phenylpropanoate Ethyl 3-oxo-3-phenylpropanoate

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CAS Numbers: 94-02-0 , [94-02-0]

Download: MOL2 SDF SMILES Flexibase

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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) 1.66 7.64 -13.12 0 3 0 43 192.214 5 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 2.399 Bitter DB
BP [°C] 265 - 270 Acros Organics
BP 265-270° Oakwood Chemical
Boiling_Point 266-270? Alfa-Aesar
Boiling_Point 266-270° Alfa-Aesar
BP 270 TCI
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0433024B1 IBM Patent Data
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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