4-ethynyl-3-methoxybenzonitrile

4-ethynyl-3-methoxybenzonitrile

Formula: C10H7NO

SMILES: COC1=C(C=CC(=C1)C#N)C#C

IUPAC: 4-ethynyl-3-methoxybenzonitrile

InChI: InChI=1S/C10H7NO/c1-3-9-5-4-8(7-11)6-10(9)12-2/h1,4-6H,2H3

Composition: C (76.42%), H (4.49%), N (8.91%), O (10.18%)

Molar Mass: 157.172

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	157.052763849
Formal Charge	0
FSP3	0.1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	RNXAVSCCJGNNQU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.42
Topological Polar Surface Area	33.02
Polarizability	17.25
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C10H7NO		Quote Only