1-[(2-Propynyloxy)methyl]pyrene | 1115084-83-7

Name: 1-[(2-Propynyloxy)methyl]pyrene
Brand: BOC Sciences
Rating: 5 (1 reviews)

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Chemical Information
Synonyms	1-(prop-2-ynoxymethyl)pyrene; 1-(Propargyloxymethyl)pyrene; 1-[(Propargyloxy)methyl]pyrene
Purity	>98.0%(GC)
IUPAC Name	1-(prop-2-ynoxymethyl)pyrene
Canonical SMILES	C#CCOCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1
InChI	InChI=1S/C20H14O/c1-2-12-21-13-17-9-8-16-7-6-14-4-3-5-15-10-11-18(17)20(16)19(14)15/h1,3-11H,12-13H2
InChI Key	PHLBHJYVJNAPAY-UHFFFAOYSA-N
Appearance	Solid
Melting Point	85 °C

Signal	Warning
GHS Hazard Statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes	P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (The corresponding statement to each P-code can be found at the GHS Classification page.)

Computed Properties
XLogP3	4.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	270.104465066 g/mol
Monoisotopic Mass	270.104465066 g/mol
Topological Polar Surface Area	9.2Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	419
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes