1-ethynyl-4-propoxybenzene

1-ethynyl-4-propoxybenzene

CAS: 39604-97-2

Formula: C11H12O

SMILES: CCCOC1=CC=C(C=C1)C#C

IUPAC: 1-ethynyl-4-propoxybenzene

InChI: InChI=1S/C11H12O/c1-3-9-12-11-7-5-10(4-2)6-8-11/h2,5-8H,3,9H2,1H3

Composition: C (82.46%), H (7.55%), O (9.99%)

Molar Mass: 160.216

Atom Count: 24

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	160.088815006
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	NMKZRVMAECEGMV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.97
Topological Polar Surface Area	9.23
Polarizability	19.13
Ring Count	1
Rotatable Bond Count	3

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