ol

• ChemBase ID: 172915
• Molecular Formular: C10H16NO3
• Molecular Mass: 198.23894
• Monoisotopic Mass: 198.11301838
• SMILES: C1(=CC(N(C1(C)C)[O])(C)C)C(=O)OC
• Canonical SMILES: COC(=O)C1=CC(N(C1(C)C)[O])(C)C
• InChI: InChI=1S/C10H16NO3/c1-9(2)6-7(8(12)14-5)10(3,4)11(9)13/h6H,1-5H3
• InChIKey: JVLPEXNOUUSKSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ol
• IUPAC Traditional name: tyrosine(.)
• Synonyms: 3-carboxy-2,2,5,5-tetramethyl-3-Pyrrolin-1-yloxy, , methyl ester; 2,2,5,5-Tetramethyl-4-methoxycarbonylpyrroline-1-oxyl; 3-Methoxycarbonyl-2,2,5,5-tetramethylpyrroline-1-oxyl; CMPO; 3-Methoxycarbonyl-2,2,5,5-tetramethyl-3-pyrrolidin-1-oxyl

Database IDs

• CAS Number: 2154-32-7
• PubChem SID: 164228825
• PubChem CID: 597693

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0745345
• LogD (pH = 7.4): 1.0745345
• Log P: 1.0745345
• Molar Refractivity: 52.5682 cm^3
• Polarizability: 20.685291 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Chloroform; Dichloromethane; Methanol
• Apperance: Yellow Solid
• Melting Point: 74-76°C

Safety Information

• Storage Condition: -20°C Freezer

DETAILS

Toronto Research Chemicals - M261670

A spin label.