UCSF

ZINC00133329

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 No

Popular Name: ethyl 3-(4-nitrophenyl)-3-oxopropanoate ethyl 3-(4-nitrophenyl)-3-oxopro…

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CAS Numbers: 838-57-3 , [838-57-3]

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) 1.62 8.31 -16.11 0 6 0 89 237.211 6 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 68-73? Alfa-Aesar
MP 71 - 73 Enamine Building Blocks
Melting_Point 71-73? Alfa-Aesar
Melting_Point 71-73° Alfa-Aesar
MP 71...73 Enamine Building Blocks
MP 86 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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