UCSF

ZINC01718594

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 6 Yes

Popular Name: 1,3-Dioxolan-2-one 1,3-Dioxolan-2-one

Find On: PubMed — Wikipedia — Google

CAS Numbers: 96-49-1 , [96-49-1]

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 0.01 1.95 -10.48 0 3 0 36 88.062 0 ↓

Vendor Notes

Note Type Comments Provided By
BP 243-244° Oakwood Chemical
Boiling_Point 244-245? Alfa-Aesar
Boiling_Point 244-245° Alfa-Aesar
BP [°C] 246.7 Acros Organics
Mp [°C] 34 - 37 Acros Organics
MP 35 - 38 Enamine Building Blocks
Melting_Point 35-37? Alfa-Aesar
Melting_Point 35-37° Alfa-Aesar
MP 35-38° Oakwood Chemical
MP 35...38 Enamine Building Blocks
MP 37 - 39 Enamine Building Blocks
MP 38 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 99% Fluorochem
H phrase H300: Fatal if swallowed Acros Organics
H phrase H319: Causes serious eye irritation Acros Organics
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician Acros Organics
P phrase P310: Immediately call a POISON CENTER or doctor/physician; P280: Wear 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: Irritating to eyes. Acros Organics
R phrase R41: Risk of serious damage to eyes. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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

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