Milnacipran EP Impurity L

CAT: 1596-AR-M01882-01Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-M01882-01Size:250 Units

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

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CAS Number

153275-06-0

Synonyms

1-phenyl-3-azabicyclo[3.1.0]hexan-2-one

Molecular Formula

C11H11NO

Molecular Weight

173.22

API Name

Milnacipran

Chemical Information

1-Phenyl-3-azabicyclo[3.1.0]hexan-2-one

CAS Number	153275-06-0
PubChem CID	10997525
IUPAC Name	1-phenyl-3-azabicyclo[3.1.0]hexan-2-one
Molecular Formula	C11H11NO
Molecular Weight	173.21
XLogP	1.2
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	244

SMILES

C1C2C1(C(=O)NC2)C3=CC=CC=C3

InChI

InChI=1S/C11H11NO/c13-10-11(6-9(11)7-12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)

InChIKey

VQWWQAXEUWHNDU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 153275-06-0

CID: 10997525

Formula: C11H11NO

MW: 173.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	173.21
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	173.084063974
Monoisotopic Mass	173.084063974
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	244
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes