UCSF

ZINC04290793

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 12 No

Popular Name: 2-Hydroxy-5-isopropyl-benzaldehyde 2-Hydroxy-5-isopropyl-benzaldehyde

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CAS Number: 68591-07-1

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) 3.16 1.24 -7.45 1 2 0 37 164.204 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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