UCSF

ZINC03875679

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 11 Yes

Popular Name: methyl 3-methylbenzoate methyl 3-methylbenzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 99-36-5 , [99-36-5]

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) 2.53 2.66 -6.08 0 2 0 26 150.177 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 113?/27mm Alfa-Aesar
Boiling_Point 113°/27mm Alfa-Aesar
BP 115 / 15.8 TCI
MP 160 - 170 Enamine Building Blocks
MP 160...170 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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