UCSF

ZINC00156675

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 12 Yes

Popular Name: 2-methoxy-2-phenylacetic acid 2-methoxy-2-phenylacetic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 02/09/21 , 02/09/7021 , 13911-17-6 , 26164-26-1 , 3966-32-3 , 63450-88-4 , 7021-09-2 , [26164-26-1] , [7021-09-2]

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.13 4.71 -49.83 0 3 -1 49 165.168 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 130 / 0.7 TCI
Boiling_Point 164-166?/18mm Alfa-Aesar
Boiling_Point 164-166°/18mm Alfa-Aesar
BP 165°/18mm Oakwood Chemical
MP 254 - 256 Enamine Building Blocks
MP 254...256 Enamine Building Blocks
Melting_Point 63-68? Alfa-Aesar
Melting_Point 63-68° Alfa-Aesar
Mp [°C] 64 - 67 Acros Organics
MP 66 TCI
MP 66 - 68 Enamine Building Blocks
melting_point 68 - 70 KeyOrganics
Mp [°C] 68 - 72 Acros Organics
M.P 69-71 °C Indofine
MP 69-71° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% Fluorochem
PUBCHEM_PATENT_ID EP0618222A3; EP0708760A1; US5643878; US5670497; WO1995002582A1 IBM Patent Data
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye 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
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
APPEARANCE white Indofine
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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