2-hydroxypropyl prop-2-enoate

• ChemBase ID: 110955
• Molecular Formular: C6H10O3
• Molecular Mass: 130.1418
• Monoisotopic Mass: 130.06299418
• SMILES: CC(O)COC(=O)C=C
• Canonical SMILES: CC(COC(=O)C=C)O
• InChI: InChI=1S/C6H10O3/c1-3-6(8)9-4-5(2)7/h3,5,7H,1,4H2,2H3
• InChIKey: GWZMWHWAWHPNHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxypropyl prop-2-enoate
• IUPAC Traditional name: 2-hydroxypropyl acrylate
• Synonyms: 2-Hydroxypropyl acrylate; PROPYLENE GLYCOL MONOACRYLATE

Database IDs

• CAS Number: 999-61-1
• MDL Number: MFCD00021900
• PubChem SID: 162096193
• PubChem CID: 61249

CALCULATED PROPERTIES

• Acid pKa: 14.828363
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6386477
• LogD (pH = 7.4): 0.6386477
• Log P: 0.6386477
• Molar Refractivity: 32.7716 cm^3
• Polarizability: 12.963648 Å^3
• Polar Surface Area: 46.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%

DETAILS

MP Biomedicals - 05217166

MP Biomedicals Rare Chemical collection