UCSF

ZINC45672830

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 13 Yes

Popular Name: 3,4-Dihydro-8-methoxynaphthalen-1(2H)-one 3,4-Dihydro-8-methoxynaphthalen-…

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CAS Numbers: 13185-18-7 , [13185-18-7]

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) 2.25 6.66 -10.21 0 2 0 26 176.215 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 128-130° Oakwood Chemical
BP 141-142°/0.1mm Oakwood Chemical
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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