UCSF

ZINC32006109

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 12 No

Popular Name: 3-Methyl-2-phenylbutanal 3-Methyl-2-phenylbutanal

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2439-44-3 , [2439-44-3]

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) 3.32 6.73 -5.23 0 1 0 17 162.232 3 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 3.047 Bitter DB
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0279681A2; EP0454330A1; US4987132; US5162318; WO2000008249A1 IBM Patent Data

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