UCSF

ZINC04284512

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 10 No

Popular Name: Methyl cyclohex-1-enecarboxylate Methyl cyclohex-1-enecarboxylate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 18448-47-0 , [18448-47-0]

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) 2.28 2.1 -4.95 0 2 0 26 140.182 2 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 190 - 192 Acros Organics
Boiling_Point 190-192? Alfa-Aesar
Boiling_Point 190-192° Alfa-Aesar
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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