Methoxamine Impurity 22

CAT: 1596-AR-M04478-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-M04478-02Size:25 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

938-46-5

Molecular Formula

C9H10O3

Molecular Weight

166.18

API Name

Methoxamine

Chemical Information

2',5'-Dihydroxypropiophenone

CAS Number	938-46-5
PubChem CID	70312
IUPAC Name	1-(2,5-dihydroxyphenyl)propan-1-one
Molecular Formula	C9H10O3
Molecular Weight	166.17
XLogP	2.2
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

CCC(=O)C1=C(C=CC(=C1)O)O

InChI

InChI=1S/C9H10O3/c1-2-8(11)7-5-6(10)3-4-9(7)12/h3-5,10,12H,2H2,1H3

InChIKey

CFQYIIXIHXUPQT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 938-46-5

CID: 70312

Formula: C9H10O3

MW: 166.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.17
XLogP3	2.2
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	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