6-(4-methylphenyl)-6-oxohexanoic acid, 95%

Name: 6-(4-methylphenyl)-6-oxohexanoic acid
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

100847-96-9

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About this item

IUPAC name	6-(4-methylphenyl)-6-oxohexanoic acid
inchi	InChI=1S/C13H16O3/c1-10-6-8-11(9-7-10)12(14)4-2-3-5-13(15)16/h6-9H,2-5H2,1H3,(H,15,16)
inchi key	YCOBHSWQEIQSDB-UHFFFAOYSA-N
molecular formula	C13H16O3
synonyms	6-(4-METHYLPHENYL)-6-OXOHEXANOIC ACID 100847-96-9 Benzenehexanoic acid, 4-methyl-epsilon-oxo- MFCD01320048 SCHEMBL5849125

Computed Properties

Molecular Weight:	220.26 g/mol
XLogP3:	2.4
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	6
Exact Mass:	220.109944368 g/mol
Monoisotopic Mass:	220.109944368 g/mol
Topological Polar Surface Area:	54.4 Å²
Heavy Atom Count:	16
Formal Charge:	0
Complexity:	240
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: AX3883

6-(4-methylphenyl)-6-oxohexanoic acid, 95%

Product No: AX3883

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Product No: AX3883

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