UCSF

ZINC03861780

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Substance Information

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

Popular Name: 1-Naphthyl acetate 1-Naphthyl acetate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 830-81-9 , [830-81-9] , [86-87-3]

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) 2.65 2.85 -9.61 0 2 0 26 186.21 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 118 / 1 TCI
Mp [°C] 43 - 46 Acros Organics
Melting_Point 43-46? Alfa-Aesar
Melting_Point 43-46° Alfa-Aesar
MP 46 TCI
PUBCHEM_PATENT_ID EP0524419B1; EP0534257B1; US5270281; US5306688; US5391806 IBM Patent Data
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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