UCSF

ZINC00153285

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

Popular Name: Methyl 3-methoxyphenylacetate Methyl 3-methoxyphenylacetate

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CAS Numbers: 1798-09-0 , 18927-05-4 , [1798-09-0] , [18927-05-4]

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) 2.01 2.56 -8.17 0 3 0 35 180.203 4 ↓

Vendor Notes

Note Type Comments Provided By
BP 130°/20mm Matrix Scientific
BP [°C] 80 - 82 (p=0.3 torr) Acros Organics
Boiling_Point 86-88?/0.5mm Alfa-Aesar
Boiling_Point 86-88°/0.5mm Alfa-Aesar
Purity 98% Matrix Scientific
Warnings Irritant Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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