UCSF

ZINC00403057

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 12 Yes

Popular Name: Methyl p-Tolylacetate Methyl p-Tolylacetate

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CAS Numbers: 23786-13-2 , 428482-12-6

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) 2.43 2.86 -6.48 0 2 0 26 164.204 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 113 / 13 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 99% Fluorochem

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