Metaraminol Impurity 10

CAT: 1596-AR-M04315-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-M04315-01Size:10 Units

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CAS Number

946-80-5

Molecular Formula

C13H12O

Molecular Weight

184.24

API Name

Metaraminol bitartrate

Chemical Information

Benzyl Phenyl Ether

CAS Number	946-80-5
PubChem CID	70352
IUPAC Name	phenoxymethylbenzene
Molecular Formula	C13H12O
Molecular Weight	184.23
XLogP	3.8
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	143

SMILES

C1=CC=C(C=C1)COC2=CC=CC=C2

InChI

InChI=1S/C13H12O/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-10H,11H2

InChIKey

BOTNYLSAWDQNEX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 946-80-5

CID: 70352

Formula: C13H12O

MW: 184.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.23
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	184.088815002
Monoisotopic Mass	184.088815002
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	143
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