UCSF

ZINC00084134

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 13 Yes

Popular Name: 1-Naphthoic acid 1-Naphthoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1914-65-4 , 4242-18-6 , 84-86-6 , 86-55-5 , [86-55-5]

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) 2.67 0.84 -55.6 0 2 -1 40 171.175 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 157-160° Oakwood Chemical
Mp [°C] 158 - 162 Acros Organics
mp 159 - 160 MolMall (formerly Molecular Diversity Preservation International)
MP 160 - 162 Enamine Building Blocks
Melting_Point 160-162? Alfa-Aesar
Melting_Point 160-162° Alfa-Aesar
MP 160...162 Enamine Building Blocks
MP 164 TCI
BP [°C] 300 Acros Organics
BP 300° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% APIChem
Boiling_Point >300? Alfa-Aesar
Boiling_Point >300° Alfa-Aesar
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Hazard XI: Irritant Acros Organics

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