UCSF

ZINC00164394

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 Yes

Popular Name: 5,6-Dimethoxy-1-indanone 5,6-Dimethoxy-1-indanone

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CAS Numbers: 2107-69-9 , [2107-69-9]

Download: MOL2 SDF SMILES Flexibase

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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) 1.35 4.67 -10.3 0 3 0 36 192.214 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 118 - 120 KeyOrganics
Melting_Point 118-120? Alfa-Aesar
Melting_Point 118-120° Alfa-Aesar
MP 120 TCI
BP 139 / 2 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Purity 98% APIChem
Warnings IRRITANT Matrix Scientific

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