UCSF

ZINC00404340

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 10 No

Popular Name: 1,1-Cyclobutanedicarboxylic acid 1,1-Cyclobutanedicarboxylic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 110172-45-7 , 111490-36-9 , 41575-94-4 , 5445-51-2 , [41575-94-4] , [5445-51-2]

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) -0.45 4.57 -118.88 0 4 -2 80 142.11 2 ↓
Mid Mid (pH 6-8) -0.45 2.61 -43.93 1 4 -1 77 143.118 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 157 - 161 Acros Organics
MP 158° Matrix Scientific
MP 159-163° Fluorochem
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Purity 98% Matrix Scientific
Purity 99% Matrix Scientific
Hazard C: Corrosive Acros Organics
Melting_Point ca 158? dec. Alfa-Aesar
Melting_Point ca 158° dec. Alfa-Aesar
Warnings CORROSIVE Matrix Scientific
Target DNA/RNA Synthesis Selleck Chemicals
H phrase H314: Causes severe skin burns and eye damage Acros Organics
H phrase H318: Causes serious eye damage Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
P phrase P301+ P330 + P331: IF SWALLOWED: Rinse mouth. Do NOT induce vomiting; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, Acros Organics
R phrase R34: Causes burns. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics

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