Metaraminol Impurity 33

CAT: 1596-AR-M04326-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-M04326-01Size:10 Units

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

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CAS Number

5368-81-0

Molecular Formula

C9H10O3

Molecular Weight

166.18

API Name

Metaraminol bitartrate

Chemical Information

Methyl 3-methoxybenzoate

CAS Number	5368-81-0
PubChem CID	79332
IUPAC Name	methyl 3-methoxybenzoate
Molecular Formula	C9H10O3
Molecular Weight	166.17
XLogP	2.3
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	156

SMILES

COC1=CC=CC(=C1)C(=O)OC

InChI

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

InChIKey

DUKYPQBGYRJVAN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5368-81-0

CID: 79332

Formula: C9H10O3

MW: 166.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.17
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	166.062994177
Monoisotopic Mass	166.062994177
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	156
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