UCSF

ZINC34974996

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 14 Yes

Popular Name: 8-(propan-2-yl)-3,4-dihydro-2H-1-benzopyran-4-one 8-(propan-2-yl)-3,4-dihydro-2H-1…

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CAS Number: 844849-90-7

Other Names:

MFCD11104780

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 6.26 -6.41 0 2 0 26 190.242 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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