Mitiglinide Impurity 16

CAT: 1596-AR-M04903-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-M04903-02Size:25 Units

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CAS Number

70925-10-9

Molecular Formula

C8H14N2O2

Molecular Weight

170.21

API Name

Mitiglinide

Chemical Information

cis-1,2-Cyclohexanedicarboxamide

CAS Number	70925-10-9
PubChem CID	21139519
IUPAC Name	cis-(1R,2S)-cyclohexane-1,2-dicarboxamide
Molecular Formula	C8H14N2O2
Molecular Weight	170.21
XLogP	-0.4
Topological Polar Surface Area	86.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	181

SMILES

C1CC[C@@H]([C@@H](C1)C(=O)N)C(=O)N

InChI

InChI=1S/C8H14N2O2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h5-6H,1-4H2,(H2,9,11)(H2,10,12)/t5-,6+

InChIKey

LGFUGDIGUMLNBI-OLQVQODUSA-N

Chemical Structure

2D Structure

CAS: 70925-10-9

CID: 21139519

Formula: C8H14N2O2

MW: 170.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	170.21
XLogP3	-0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	170.105527694
Monoisotopic Mass	170.105527694
Topological Polar Surface Area	86.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	181
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes