UCSF

ZINC00404412

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 13 Yes

Popular Name: Ethyl 3-methylphenylacetate Ethyl 3-methylphenylacetate

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CAS Number: 40061-55-0

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) 2.78 2.83 -6.29 0 2 0 26 178.231 4 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 237-238? Alfa-Aesar
Boiling_Point 237-238° Alfa-Aesar
BP 238 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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