1-(4-methoxyphenyl)prop-2-yn-1-one

1-(4-methoxyphenyl)prop-2-yn-1-one

CAS: 16469-68-4

Formula: C10H8O2

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

IUPAC: 1-(4-methoxyphenyl)prop-2-yn-1-one

InChI: InChI=1S/C10H8O2/c1-3-10(11)8-4-6-9(12-2)7-5-8/h1,4-7H,2H3

Composition: C (74.99%), H (5.03%), O (19.98%)

Molar Mass: 160.172

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	160.052429498
Formal Charge	0
FSP3	0.1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	QVJCRRJXMMPQKP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.06
Topological Polar Surface Area	26.3
Polarizability	17.32
Ring Count	1
Rotatable Bond Count	2

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