Metaraminol Impurity A

CAT: 1299-RG-H251801-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-H251801-01Size:10 mg

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CAS Number

82499-20-5

Synonyms

(R) -1-hydroxy-1- (3-hydroxyphenyl) propan-2-one

Molecular Formula

C9H10O3

Molecular Weight

166.17

Target Alternative Name

Metaraminol

Product Name Synonym

(R) -1-hydroxy-1- (3-hydroxyphenyl) propan-2-one

Chemical Information

(1R)-1-Hydroxy-1-(3-hydroxyphenyl)propan-2-one

CAS Number	82499-20-5
PubChem CID	57353781
IUPAC Name	(1R)-1-hydroxy-1-(3-hydroxyphenyl)propan-2-one
Molecular Formula	C9H10O3
Molecular Weight	166.17
XLogP	0
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	167

SMILES

CC(=O)[C@@H](C1=CC(=CC=C1)O)O

InChI

InChI=1S/C9H10O3/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-5,9,11-12H,1H3/t9-/m0/s1

InChIKey

DQKWSNSMBHOHLP-VIFPVBQESA-N

Chemical Structure

2D Structure

CAS: 82499-20-5

CID: 57353781

Formula: C9H10O3

MW: 166.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.17
XLogP3	0
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	166.062994177
Monoisotopic Mass	166.062994177
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	167
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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
RG-A130977-01	Metaraminol Bitartrate Impurity 1
RM-M201898-01	Metaraminol Nitroso Impurity 98
RM-M202801-01	Metaraminol Nitroso Impurity 101
RM-M201899-01	Metaraminol Nitroso Impurity 99
RM-M201884-01	Metaraminol Nitroso Impurity 84
RM-M202804-01	Metaraminol Nitroso Impurity 104
RM-M202803-01	Metaraminol Nitroso Impurity 103
RM-M202802-01	Metaraminol Nitroso Impurity 102
RM-M201880-01	Metaraminol Nitroso Impurity 80
RM-R242215-01	Roxatidine Impurity 13; Metaraminol Bitartrate Impurity 2