Mitiglinide Impurity 5

CAT: 1596-AR-M04891-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-M04891-02Size:25 Units

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

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CAS Number

2555-11-5

Molecular Formula

C8H13NO

Molecular Weight

139.20

API Name

Mitiglinide

Chemical Information

Octahydro-1h-isoindol-1-one

CAS Number	2555-11-5
PubChem CID	112047
IUPAC Name	2,3,3a,4,5,6,7,7a-octahydroisoindol-1-one
Molecular Formula	C8H13NO
Molecular Weight	139.19
XLogP	1.1
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	155

SMILES

C1CCC2C(C1)CNC2=O

InChI

InChI=1S/C8H13NO/c10-8-7-4-2-1-3-6(7)5-9-8/h6-7H,1-5H2,(H,9,10)

InChIKey

JKYNCKNIVHDOKU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2555-11-5

CID: 112047

Formula: C8H13NO

MW: 139.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	139.19
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	139.099714038
Monoisotopic Mass	139.099714038
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	155
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