UCSF

ZINC00410029

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 12 Yes

Popular Name: 2-Methoxy-4-methylbenzoic acid 2-Methoxy-4-methylbenzoic acid

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CAS Numbers: 704-45-0 , [704-45-0]

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) 2.36 1.59 -57.58 0 3 -1 49 165.168 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 107-108° Oakwood Chemical
MP 76° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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