5-(prop-2-yn-1-yloxy)-2H-1,3-benzodioxole

5-(prop-2-yn-1-yloxy)-2H-1,3-benzodioxole

CAS: 19947-80-9

Formula: C10H8O3

SMILES: C#CCOC1=CC2=C(OCO2)C=C1

IUPAC: 5-(prop-2-yn-1-yloxy)-2H-1,3-benzodioxole

InChI: InChI=1S/C10H8O3/c1-2-5-11-8-3-4-9-10(6-8)13-7-12-9/h1,3-4,6H,5,7H2

Composition: C (68.18%), H (4.58%), O (27.24%)

Molar Mass: 176.171

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	176.047344118
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	PBXQHZCLNWGBAZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.87
Topological Polar Surface Area	27.69
Polarizability	17.91
Ring Count	2
Rotatable Bond Count	2

Suppliers

Key Organics Ltd

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	19947-80-9		$51.35-$524.40$51.35$63.37$86.31$524.40