UCSF

ZINC03860884

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 9 No

Popular Name: 5-Norbornene-2-carboxaldehyde 5-Norbornene-2-carboxaldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5453-80-5 , [5453-80-5]

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) 2.03 4.77 -5.11 0 1 0 17 122.167 1 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 67 - 70 (p=12 torr) Acros Organics
Boiling_Point 68-70?/12mm Alfa-Aesar
Boiling_Point 68-70°/12mm Alfa-Aesar
BP 72 / 20 TCI
Purity 97% Fluorochem
H phrase H226: Flammable liquid and vapor Acros Organics
H phrase H319: Causes serious eye irritation Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P233: Keep container tightly closed Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
R phrase R10: Flammable. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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