UCSF

ZINC00967335

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2004 13 Yes

Popular Name: 2-Acetylnaphthalene 2-Acetylnaphthalene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 93-08-3 , [93-08-3]

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) 3.02 1.76 -7.77 0 1 0 17 170.211 1 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 300 - 301 Acros Organics
Boiling_Point 300-301? Alfa-Aesar
Boiling_Point 300-301° Alfa-Aesar
BP 301 TCI
Melting_Point 52-56? Alfa-Aesar
Melting_Point 52-56° Alfa-Aesar
MP 53 - 55 Enamine Building Blocks
Mp [°C] 53 - 56 Acros Organics
MP 53...55 Enamine Building Blocks
MP 54 TCI
mp 55 MolMall (formerly Molecular Diversity Preservation International)
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
H phrase H411: Toxic to aquatic life with long lasting effects Acros Organics
Hazard N: Dangerous for the environment Acros Organics
P phrase P273: Avoid release to the environment Acros Organics
R phrase R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
S phrase S61: Avoid release to the environment. Refer to special instructions / safety data sheets. Acros Organics

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