UCSF

ZINC02017189

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 8 No

Popular Name: Trans-2-heptenal Trans-2-heptenal

Find On: PubMed — Wikipedia — Google

CAS Numbers: 18829-55-5 , 2463-63-0 , [18829-55-5]

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) 2.83 2.17 -5.95 0 1 0 17 112.172 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks
BP 91 / 50 TCI
purity 95 Enamine Building Blocks
Purity 95% Fluorochem

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