UCSF

ZINC38192741

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2010 14 Yes

Popular Name: (1S,3R)-1,2,2-Trimethylcyclopentane-1,3-dicarboxylic acid (1S,3R)-1,2,2-Trimethylcyclopent…

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CAS Numbers: 124-83-4 , 560-05-4 , 560-09-8

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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) 1.35 6.5 -111 0 4 -2 80 198.218 2 ↓
Lo Low (pH 4.5-6) 1.35 4.61 -50.71 1 4 -1 77 199.226 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 187 TCI
Melting_Point 188-190? Alfa-Aesar
Melting_Point 188-190° Alfa-Aesar
Purity 95% Fluorochem

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