UCSF

ZINC00152318

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 10 Yes

Popular Name: 3-(2-FURYL)PROPANOIC ACID 3-(2-FURYL)PROPANOIC ACID

Find On: PubMed — Wikipedia — Google

CAS Numbers: 623-17-6 , 935-13-7 , 99-36-5 , [935-13-7]

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) 0.89 3.84 -45.59 0 3 -1 53 139.13 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 229° Matrix Scientific
MP 56 - 58 Enamine Building Blocks
Mp [°C] 56 - 59 Acros Organics
Melting_Point 56-60? Alfa-Aesar
Melting_Point 56-60° Alfa-Aesar
MP 56...58 Enamine Building Blocks
MP 58° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
H phrase H318: Causes serious eye damage; H335: May cause respiratory irritation; H315: Causes skin irritation Acros Organics
H phrase H319: Causes serious eye irritation Acros Organics
Warnings IRRITANT Matrix Scientific
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
R phrase R37/38: Irritating to respiratory system and skin.; R41: Risk of serious damage to eyes. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
Hazard XI: Irritant Acros Organics

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