pent-4-en-2-one, 95%

Name: pent-4-en-2-one
Brand: Chempure

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CAS Number

13891-87-7

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IUPAC name	pent-4-en-2-one
inchi	InChI=1S/C5H8O/c1-3-4-5(2)6/h3H,1,4H2,2H3
inchi key	PNJWIWWMYCMZRO-UHFFFAOYSA-N
molecular formula	C5H8O
synonyms	4-Penten-2-one pent-4-en-2-one 13891-87-7 Allyl methyl ketone Vinyl acetone
Compound Description	4-penten-2-one is a methyl ketone that is pent-1-ene substituted by an oxo group at position 4. It has a role as a metabolite. It is a methyl ketone and an olefinic compound. 4-Penten-2-one has been reported in Tamarindus indica with data available.

Computed Properties

Molecular Weight:	84.12 g/mol
XLogP3:	0.7
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	2
Exact Mass:	84.057514874 g/mol
Monoisotopic Mass:	84.057514874 g/mol
Topological Polar Surface Area:	17.1 Å²
Heavy Atom Count:	6
Formal Charge:	0
Complexity:	64.3
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

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Product No: BI1183

pent-4-en-2-one, 95%

Product No: BI1183

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