UCSF

ZINC34781173

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 11 Yes

Popular Name: Ethyl tetrahydro-2h-pyran-4-carboxylate Ethyl tetrahydro-2h-pyran-4-carb…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 96835-17-5 , [96835-17-5]

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) 1.31 4 -5.53 0 3 0 36 158.197 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
PUBCHEM_PATENT_ID EP0568136A1; EP0699186A1; US5374648; US5374649; US5576312; US5686461; WO1994020465A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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