(2-methylprop-2-en-1-yl)benzene

• ChemBase ID: 108594
• Molecular Formular: C10H12
• Molecular Mass: 132.20228
• Monoisotopic Mass: 132.09390038
• SMILES: CC(=C)Cc1ccccc1
• Canonical SMILES: CC(=C)Cc1ccccc1
• InChI: InChI=1S/C10H12/c1-9(2)8-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3
• InChIKey: MXTNFIYGTWARIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methylprop-2-en-1-yl)benzene
• IUPAC Traditional name: (2-methylprop-2-en-1-yl)benzene
• Synonyms: 2-METHYL-3-PHENYL-1-PROPENE; Methallylbenzene; 2-Methyl-3-phenyl-1-propene; METHALLYLBENZENE; 2-甲基-3-苯基-1-丙烯

Database IDs

• CAS Number: 3290-53-7
• MDL Number: MFCD00039815
• PubChem SID: 162094677
• PubChem CID: 18687

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.315178
• LogD (pH = 7.4): 3.315178
• Log P: 3.315178
• Molar Refractivity: 44.6273 cm^3
• Polarizability: 17.559036 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 05207998

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05225257

MP Biomedicals Rare Chemical collection