Depropylamino Hydroxy Propafenone

CAT: 0024-sc-499872Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-499872Size:25 mg

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CAS Number

91401-73-9

Chemical Information

1-(2-(2,3-Dihydroxypropoxy)phenyl)-3-phenylpropanone, (2RS)-

CAS Number	91401-73-9
PubChem CID	71315561
IUPAC Name	1-[2-(2,3-dihydroxypropoxy)phenyl]-3-phenylpropan-1-one
Molecular Formula	C18H20O4
Molecular Weight	300.3
XLogP	2.2
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	22
Formal Charge	0
Complexity	325

SMILES

C1=CC=C(C=C1)CCC(=O)C2=CC=CC=C2OCC(CO)O

InChI

InChI=1S/C18H20O4/c19-12-15(20)13-22-18-9-5-4-8-16(18)17(21)11-10-14-6-2-1-3-7-14/h1-9,15,19-20H,10-13H2

InChIKey

KRSTZDUMPGTWJG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 91401-73-9

CID: 71315561

Formula: C18H20O4

MW: 300.3

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	300.3
XLogP3	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	300.13615911
Monoisotopic Mass	300.13615911
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	325
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-499876	Depropylamino Chloro Propafenone
sc-499877	Depropylamino Chloro Propafenone-d5
sc-210333	5-Hydroxy Propafenone Hydrochloride
sc-210056	4-Hydroxy Propafenone Hydrochloride
sc-488541	5-Hydroxy propafenone sulfate
sc-212873	(S) -5-Hydroxy Propafenone Hydrochloride
sc-216863	4-Hydroxy Propafenone-d5 Hydrochloride
sc-217198	5-Hydroxy Propafenone-d5 Hydrochloride
sc-488186	5-Hydroxy Propafenone β-D-Glucuronide
sc-488190	5-Hydroxy Propafenone Hydrochloride-d5

Catalog	Name
008233	Depropylamino Hydroxy Propafenone
HY-141733S-01	Depropylamino hydroxy propafenone-d5
271467-01	Depropylamino chloro propafenone
WDC59865-01	Depropylamino chloro propafenone-d5
TRC-D230225-50MG	Depropylamino-3-methyl Propafenone
TRC-D230227-25MG	Depropylamino-3-methyl Propafenone-d5
CS-O-05853	5-Hydroxy Propafenone
AR-P03037-01	4-Hydroxy Propafenone
279193-01	4-Hydroxy propafenone hydrochloride
TRC-H952450-10MG	5-Hydroxy Propafenone Hydrochloride