UCSF

ZINC02575235

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 Yes

Popular Name: Methyl 4-Amino-2-hydroxybenzoate Methyl 4-Amino-2-hydroxybenzoate

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CAS Numbers: 4136-97-4 , [4136-97-4]

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) 1.18 1.07 -9.07 3 4 0 73 167.164 2 ↓
Hi High (pH 8-9.5) 1.18 2.07 -52.41 2 4 -1 75 166.156 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 118-120° Oakwood Chemical
melting_point 119 KeyOrganics
MP 120-123° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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