UCSF

ZINC12358763

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 9 Yes

Popular Name: Cyclohexanecarboxylic acid Cyclohexanecarboxylic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 136-01-6 , 65-85-0 , 98-89-5 , [136-01-6]

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) 1.85 4.47 -47.53 0 2 -1 40 127.163 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 231-233? Alfa-Aesar
Boiling_Point 231-233° Alfa-Aesar
BP [°C] 232 - 233 Acros Organics
BP 232-233° Oakwood Chemical
MP 29-31° Oakwood Chemical
Melting_Point 29-32? Alfa-Aesar
Melting_Point 29-32° Alfa-Aesar
MP 30 - 32 Enamine Building Blocks
MP 30...32 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Patent Database Links EP1510208; EP1591114; EP1862167; US2006025383; US2006135755; WO2006027628; WO2006040318; WO2006068990 ChEBI
H phrase H335: May cause respiratory irritation Acros Organics
H phrase H335: May cause respiratory irritation; H315: Causes skin irritation; 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
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
Hazard XI: Irritant Acros Organics

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