Vigabatrin Impurity 7

CAT: 1596-AR-V06566-03Size: 50 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-V06566-03Size:50 Units

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

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CAS Number

27428-45-1

Molecular Formula

C6H9NO

Molecular Weight

111.14

API Name

Vigabatrin

Chemical Information

(3Z)-3-ethylidenepyrrolidin-2-one

Trans-3-Ethylidene-2-pyrrolidone is a pyrroline.

CAS Number	27428-45-1
PubChem CID	5317249
IUPAC Name	(3Z)-3-ethylidenepyrrolidin-2-one
Molecular Formula	C6H9NO
Molecular Weight	111.14
XLogP	0.4
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	137

SMILES

C/C=C\1/CCNC1=O

InChI

InChI=1S/C6H9NO/c1-2-5-3-4-7-6(5)8/h2H,3-4H2,1H3,(H,7,8)/b5-2-

InChIKey

BUDPEUONKOXMQX-DJWKRKHSSA-N

Chemical Structure

2D Structure

CAS: 27428-45-1

CID: 5317249

Formula: C6H9NO

MW: 111.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	111.14
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	111.068413911
Monoisotopic Mass	111.068413911
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	137
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes