1,1-Diethoxy-2-nitroethane

CAT: 0127-OR321286Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR321286Size:250 mg

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CAS Number

34560-16-2

MDL Number

MFCD00066245

Purity

95%

Smiles

CCOC(C[N+](=O)[O-])OCC

Storage Conditions

Store at 2-8°C

Chemical Information

1,1-Diethoxy-2-nitroethane

CAS Number	34560-16-2
PubChem CID	4913029
IUPAC Name	1,1-diethoxy-2-nitroethane
Molecular Formula	C6H13NO4
Molecular Weight	163.17
XLogP	0.6
Topological Polar Surface Area	64.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	11
Formal Charge	0
Complexity	106

SMILES

CCOC(C[N+](=O)[O-])OCC

InChI

InChI=1S/C6H13NO4/c1-3-10-6(11-4-2)5-7(8)9/h6H,3-5H2,1-2H3

InChIKey

MDYWSMNYPFOQOU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 34560-16-2

CID: 4913029

Formula: C6H13NO4

MW: 163.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	163.17
XLogP3	0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	163.08445790
Monoisotopic Mass	163.08445790
Topological Polar Surface Area	64.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	106
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