UCSF

ZINC22995871

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 17 No

Popular Name: (3-Methyloxetan-3-yl)methyl 4-methylbenzenesulfonate (3-Methyloxetan-3-yl)methyl 4-me…

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CAS Numbers: 99314-44-0 , [99314-44-0]

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) 2.11 3.48 -10.35 0 4 0 53 256.323 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 5.000000000000000e+001 - 5.100000000000000e+001 KeyOrganics
melting_point 50 - 51 KeyOrganics
MP 50-51° Matrix Scientific
Purity 95% Fluorochem
Purity 97% Matrix Scientific
Purity 97+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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Rings

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