UCSF

ZINC12359937

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 12 No

Popular Name: Diethyl maleate Diethyl maleate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 141-05-9 , 623-91-6

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) 1.31 5.68 -11.41 0 4 0 53 172.18 6 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 10 Acros Organics
Melting_Point 11? Alfa-Aesar
Melting_Point 11° Alfa-Aesar
Boiling_Point 221-224? Alfa-Aesar
Boiling_Point 221-224° Alfa-Aesar
BP [°C] 225 Acros Organics
H phrase H317: May cause an allergic skin reaction Acros Organics
P phrase P280: Wear eye protection/face protection Acros Organics
R phrase R43: May cause sensitisation by skin contact. Acros Organics
S phrase S24: Avoid contact with skin. Acros Organics
S phrase S24: Avoid contact with skin.; S37: Wear suitable gloves. Acros Organics
Hazard XI: Irritant Acros Organics

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