UCSF

ZINC02581180

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 10 No

Popular Name: 2-Ethylbenzaldehyde 2-Ethylbenzaldehyde

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CAS Numbers: 22927-13-5 , [22927-13-5]

Other Names:

MFCD02261766

NA

OR-5329

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) 2.59 2.02 -5.7 0 1 0 17 134.178 2 ↓

Vendor Notes

Note Type Comments Provided By
bp 210 (p=753 torr) MolMall (formerly Molecular Diversity Preservation International)
BP 212° Oakwood Chemical
Purity 95% Fluorochem

Activity (Go SEA)

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