Nicorandil Impurity 29

CAT: 1299-RM-N031855-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-N031855-01Size:10 mg

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CAS Number

16051-48-2

Synonyms

2-hydroxyethyl nitrate

Molecular Formula

C2H5NO4

Molecular Weight

107.07

Target Alternative Name

Nicorandil

Product Name Synonym

2-hydroxyethyl nitrate

Chemical Information

1,2-Ethanediol, 1-nitrate

CAS Number	16051-48-2
PubChem CID	85254
IUPAC Name	2-hydroxyethyl nitrate
Molecular Formula	C2H5NO4
Molecular Weight	107.07
XLogP	-0.2
Topological Polar Surface Area	75.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	0
Complexity	57

SMILES

C(CO[N+](=O)[O-])O

InChI

InChI=1S/C2H5NO4/c4-1-2-7-3(5)6/h4H,1-2H2

InChIKey

HTKIMWYSDZQQBP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16051-48-2

CID: 85254

Formula: C2H5NO4

MW: 107.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	107.07
XLogP3	-0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	107.02185764
Monoisotopic Mass	107.02185764
Topological Polar Surface Area	75.3 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	57.2
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

Catalog	Name
RM-N031840-01	Nicorandil Impurity 14 (Nicorandil Trimer)
RM-N031831-01	Nicorandil Impurity 5
RM-N031830-01	Nicorandil Impurity 4
RM-N031885-01	Nicorandil Impurity 58
RM-N031883-01	Nicorandil Impurity 56
RM-N031898-01	Nicorandil Impurity 70
RM-N031880-01	Nicorandil Impurity 53
RM-N031853-01	Nicorandil Impurity 27
RM-N031854-01	Nicorandil Impurity 28
RM-N031866-01	Nicorandil Impurity 39

Catalog	Name
AR-N01394-01	Nicorandil EP Impurity A (p-Nicorandil)
AR-N08546-01	Nicorandil Impurity 21
AR-N08566-01	Nicorandil Impurity 39
AR-N08549-01	Nicorandil Impurity 24
AR-N08553-01	Nicorandil Impurity 28
AR-N08986-01	Nicorandil Impurity 9
AR-N01402-01	Nicorandil Impurity 5
AR-N08535-01	Nicorandil Impurity 6
AR-N08538-01	Nicorandil Impurity 10
AR-N08539-01	Nicorandil Impurity 12