UCSF

ZINC00336943

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 No

Popular Name: 4,5-Dimethoxy-2-methylbenzaldehyde 4,5-Dimethoxy-2-methylbenzaldehyde

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CAS Numbers: 7721-62-2 , [7721-62-2]

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) 1.75 3.99 -9.89 0 3 0 36 180.203 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 110-111°/0.2 Torr Matrix Scientific
MP 70 - 72 Enamine Building Blocks
MP 70...72 Enamine Building Blocks
MP 76° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Stored under Argon Matrix Scientific

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