UCSF

ZINC00168561

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 No

Popular Name: (2-methyl-3-phenyltetrahydro-5-isoxazolyl)methanol (2-methyl-3-phenyltetrahydro-5-i…

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CAS Numbers: 19345-02-9 , [19345-02-9]

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) 1.37 2.15 -6.53 1 3 0 33 193.246 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 78 - 84 KeyOrganics
MP 78-84° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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