UCSF

ZINC01656240

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 11 No

Popular Name: 2-Hydroxy-5-methoxybenzaldehyde 2-Hydroxy-5-methoxybenzaldehyde

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CAS Numbers: 672-13-9 , [672-13-9]

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 1.70 0.74 -9.01 1 3 0 47 152.149 2 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 103 (p=2.5 torr) Acros Organics
BP 103°/2.5mm Oakwood Chemical
Melting_Point 13-16? Alfa-Aesar
Melting_Point 13-16° Alfa-Aesar
BP 248 TCI
Boiling_Point 248-252? Alfa-Aesar
Boiling_Point 248-252° Alfa-Aesar
Mp [°C] 4 Acros Organics
MP 4 - 6 Enamine Building Blocks
MP 4 °C(lit.) Indofine
MP 4...6 Enamine Building Blocks
MP 4° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory irritation Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
SOLUBILITY Soluble in Chloroform Indofine
Hazard XI: Irritant Acros Organics

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