UCSF

ZINC01641045

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 13 No

Popular Name: Acetic acid 4-nitrophenyl ester Acetic acid 4-nitrophenyl ester

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CAS Numbers: 830-03-5 , [830-03-5]

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) 1.45 6.39 -8.81 0 5 0 72 181.147 3 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 76 - 79 Acros Organics
Melting_Point 77-79? Alfa-Aesar
Melting_Point 77-79° Alfa-Aesar
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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

No pre-computed analogs available. Try a structural similarity search.