UCSF

ZINC00157225

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Substance Information

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

Popular Name: 6-Methoxy-2-naphthaldehyde 6-Methoxy-2-naphthaldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3453-33-6 , [3453-33-6]

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) 2.94 1.76 -8.35 0 2 0 26 186.21 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 196 / 10 TCI
Melting_Point 80-82? Alfa-Aesar
Melting_Point 80-82° Alfa-Aesar
MP 81 - 84 Enamine Building Blocks
MP 81-84° Oakwood Chemical
MP 81...84 Enamine Building Blocks
MP 82 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 99% Fluorochem
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US5516789 IBM Patent Data

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