UCSF

ZINC01388073

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 12 No

Popular Name: 2H-chromene-3-carbonitrile 2H-chromene-3-carbonitrile

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CAS Number: 57543-66-5

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) 2.08 2.16 -5.96 0 2 0 33 157.172 0 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 47 - 50 KeyOrganics
MP 48 - 50 Enamine Building Blocks
MP 48...50 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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