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4-(prop-2-yn-1-yl)benzonitrile

4-(prop-2-yn-1-yl)benzonitrile

CAS: 1260663-61-3

Formula: C10H7N

SMILES: C#CCC1=CC=C(C=C1)C#N

IUPAC: 4-(prop-2-yn-1-yl)benzonitrile

InChI: InChI=1S/C10H7N/c1-2-3-9-4-6-10(8-11)7-5-9/h1,4-7H,3H2

Composition: C (85.08%), H (5.00%), N (9.92%)

Molar Mass: 141.173

Atom Count: 18

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 141.057849229
Formal Charge 0
FSP3 0.1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey FBTKJZVYFGLMEA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.48
Topological Polar Surface Area 23.79
Polarizability 16.61
Ring Count 1
Rotatable Bond Count 1

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