UCSF

ZINC03881967

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 15 Yes

Popular Name: 6-Methoxy-chroman-3-carboxylic acid 6-Methoxy-chroman-3-carboxylic acid

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CAS Numbers: 182570-26-9 , 182570-28-1

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) 1.64 4.03 -45.13 0 4 -1 59 207.205 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 120 - 122 Enamine Building Blocks
MP 120...122 Enamine Building Blocks
MP 127 - 129 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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