UCSF

ZINC01295978

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 10 Yes

Popular Name: (Tetrahydro-pyran-2-yl)-acetic acid (Tetrahydro-pyran-2-yl)-acetic acid

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CAS Numbers: 13103-40-7 , [13103-40-7]

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) 0.71 3.56 -49.37 0 3 -1 49 143.162 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 110-112°/2 Torr Matrix Scientific
MP 49 - 51 Enamine Building Blocks
MP 49...51 Enamine Building Blocks
MP 55-57° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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