UCSF

ZINC01673440

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 7 Yes

Popular Name: Cyclobutanecarboxylic acid Cyclobutanecarboxylic acid

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CAS Numbers: 3721-95-7 , [3721-95-7]

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) 0.60 3.25 -47.22 0 2 -1 40 99.109 1 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 20 Acros Organics
MP 20 to -7.5° Matrix Scientific
Melting_Point 20? Alfa-Aesar
Melting_Point 20° Alfa-Aesar
Boiling_Point 194-195? Alfa-Aesar
Boiling_Point 194-195° Alfa-Aesar
BP [°C] 195 Acros Organics
BP 195° Matrix Scientific
BP 196 TCI
Purity 98% Matrix Scientific
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H335: May cause respiratory irritation; H319: Causes serious eye 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
Warnings STENCH Matrix Scientific
Hazard XI: Irritant Acros Organics

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