1-phenylbut-2-yn-1-one

1-phenylbut-2-yn-1-one

CAS: 6710-62-9

Formula: C10H8O

SMILES: CC#CC(=O)C1=CC=CC=C1

IUPAC: 1-phenylbut-2-yn-1-one

InChI: InChI=1S/C10H8O/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8H,1H3

Composition: C (83.31%), H (5.59%), O (11.10%)

Molar Mass: 144.173

Atom Count: 19

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	144.057514878
Formal Charge	0
FSP3	0.1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	MBQRLNBFWRASNO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.1
Topological Polar Surface Area	17.07
Polarizability	16.66
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	6710-62-9		$138.71-$442.61$138.71$192.93$442.61