(1-ethynylcyclopropyl)benzene

• ChemBase ID: 799497
• Molecular Formular: C11H10
• Molecular Mass: 142.1971
• Monoisotopic Mass: 142.07825032
• SMILES: c1(ccccc1)C1(CC1)C#C
• Canonical SMILES: C#CC1(CC1)c1ccccc1
• InChI: InChI=1S/C11H10/c1-2-11(8-9-11)10-6-4-3-5-7-10/h1,3-7H,8-9H2
• InChIKey: JZMJNHMUPFGYFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-ethynylcyclopropyl)benzene
• IUPAC Traditional name: (1-ethynylcyclopropyl)benzene
• Synonyms: (1-ethynylcyclopropyl)benzene

Database IDs

• CAS Number: 139633-98-0

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.6919901
• LogD (pH = 7.4): 2.6919901
• Log P: 2.6919901
• Molar Refractivity: 45.9843 cm^3
• Polarizability: 17.766626 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%