1-phenoxyhept-6-en-2-one, 95%

Name: 1-phenoxyhept-6-en-2-one
Brand: Chempure

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CAS Number

1339698-04-2

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About this item

IUPAC name	1-phenoxyhept-6-en-2-one
inchi	InChI=1S/C13H16O2/c1-2-3-5-8-12(14)11-15-13-9-6-4-7-10-13/h2,4,6-7,9-10H,1,3,5,8,11H2
inchi key	KQIAYSJRIPXNEU-UHFFFAOYSA-N
molecular formula	C13H16O2
synonyms	1-phenoxyhept-6-en-2-one 1339698-04-2 AKOS013637966 CS-0247957 EN300-381099

Computed Properties

Molecular Weight:	204.26 g/mol
XLogP3:	2.4
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	7
Exact Mass:	204.115029749 g/mol
Monoisotopic Mass:	204.115029749 g/mol
Topological Polar Surface Area:	26.3 Å²
Heavy Atom Count:	15
Formal Charge:	0
Complexity:	193
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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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

Product No: BG5194

1-phenoxyhept-6-en-2-one, 95%

Product No: BG5194

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