Nabumetone Dimer Impurity

CAT: 0024-sc-477785Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-477785Size:100 mg

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CAS Number

343272-53-7

Chemical Information

1,5-Bis(6-methoxynaphthalen-2-yl)pentan-3-one

CAS Number	343272-53-7
PubChem CID	71750882
IUPAC Name	1,5-bis(6-methoxynaphthalen-2-yl)pentan-3-one
Molecular Formula	C27H26O3
Molecular Weight	398.5
XLogP	6.2
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Heavy Atom Count	30
Formal Charge	0
Complexity	500

SMILES

COC1=CC2=C(C=C1)C=C(C=C2)CCC(=O)CCC3=CC4=C(C=C3)C=C(C=C4)OC

InChI

InChI=1S/C27H26O3/c1-29-26-13-9-21-15-19(3-7-23(21)17-26)5-11-25(28)12-6-20-4-8-24-18-27(30-2)14-10-22(24)16-20/h3-4,7-10,13-18H,5-6,11-12H2,1-2H3

InChIKey

UMTKETXRHOPDDD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 343272-53-7

CID: 71750882

Formula: C27H26O3

MW: 398.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	398.5
XLogP3	6.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Exact Mass	398.18819469
Monoisotopic Mass	398.18819469
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	500
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

Catalog	Name
sc-477788	Nabumetone-d6 Dimer Impurity
sc-204813	Nabumetone
sc-204813A	Nabumetone
sc-479699	Adapalene Dimer Impurity
sc-472830B	Salmeterol Dimer Impurity
sc-483974	Methyadapalene dimer impurity
sc-481725	Almotriptan Dimer Impurity
sc-488069	Iloperidone Dimer Impurity
sc-472830C	Salmeterol Dimer Impurity
sc-217648	Anastrozole Dimer Impurity