Basic information
- CAS
69731-90-4- Standard SMILES
COC(=N)c1ccc(O)cc1- InChIKey
DYQNRMCKBFOWKH-UHFFFAOYSA-N- Molecular formula
- C8H9NO2
- Average molar mass
- 151.16 g/mol
Overview
bifunctional reagent for immunospecific labeling of cell surface antigens; RN given refers to parent cpd
Names & identifiers
- Preferred name
- Methylhydroxybenzimidate
- IUPAC
- methyl 4-hydroxybenzenecarboximidate
- English name
- methylhydroxybenzimidate
- Molecular formula
- C8H9NO2
- Molecular weight
- 151.16
Names & synonyms
Wood reagent69731-90-4MethylhydroxybenzimidateBenzenecarboximidic acid, 4-hydroxy-, methyl esterRefChem:158234METHYL 4-HYDROXYBENZENECARBOXIMIDATEmethyl-p-hydroxybenzimidateSCHEMBL111257NSC174879AKOS009157295NSC 174879NSC-174879
Show more names
methyl 4-hydroxybenzimidate
DA-03486
Database identifiers
- CAS
69731-90-4- PubChem CID
- 98895
- Nikkaji
- J264.854G
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Boiling point
- 235.6 · 235.6±42.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 6.68 · 6.68±0.30(Predicted)
Chemistry & industry
Suppliers1 total
德拜科技有限公司00852-2521 1836
Related reactions
1 records
Compound notes
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