2- (2-Nitroethyl) -1,3-dioxolane

CAT: 0127-OR13705-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR13705-01Size:1 g

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CAS Number

82891-99-4

MDL Number

MFCD00040621

Purity

98%

Smiles

[O-][N+](=O)CCC1OCCO1

Chemical Information

2-(2-Nitroethyl)-1,3-dioxolane

See also: 2-(2-Nitroethyl)-1,3-dioxalane (annotation moved to).

CAS Number	82891-99-4
PubChem CID	10888059
IUPAC Name	2-(2-nitroethyl)-1,3-dioxolane
Molecular Formula	C5H9NO4
Molecular Weight	147.13
XLogP	0
Topological Polar Surface Area	64.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	115

SMILES

C1COC(O1)CC[N+](=O)[O-]

InChI

InChI=1S/C5H9NO4/c7-6(8)2-1-5-9-3-4-10-5/h5H,1-4H2

InChIKey

ZYXOSRQIZOOVTN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 82891-99-4

CID: 10888059

Formula: C5H9NO4

MW: 147.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	147.13
XLogP3	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	147.05315777
Monoisotopic Mass	147.05315777
Topological Polar Surface Area	64.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	115
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
OR9490-01	3- (2-Nitroethyl) benzeneboronic acid
OR73411-01	(2-Nitroethyl) benzene
PC1022610-01	2- (2-Fluorophenyl) -1,3-dioxolane
OR938123-01	2- (2-Thienyl) -1,3-dioxolane
OR4329-01	2- (2-Bromophenyl) -1,3-dioxolane
OR1067026-01	2- (2-Chloroethyl) -1,3-dioxolane
OR1026780-01	2-Methoxy-1,3-Dioxolane
OR1078898-01	2-Phenyl-1,3-dioxolane
OR950264-01	2-Benzyl-1,3-dioxolane
OR54338-01	2- (Bromomethyl) -1,3-dioxolane

Catalog	Name
TRC-N495895-5G	1-(2-Nitroethyl)-2-naphthol
sc-478139	1- (2-Nitroethyl) -2-naphthol
sc-288667	3- (2-Nitroethyl) phenylboronic acid
IBA72332-01	3-[1- (2,3-Dimethoxyphenyl) -2-nitroethyl]-1H-indole
sc-309272	3- (1-Nitroethyl) -2-benzofuran-1 (3H) -one
TRC-N495898-50MG	3-(1-Nitroethyl)-2-benzofuran-1(3H)-one
sc-311313A	Diethyl 2- (1-nitroethyl) succinate
FN66886-01	(1-Nitroethyl) benzene
TRC-D486530-2.5G	1,3-Dioxolane-2-butanal
RG-B181558-01	2- (Bromomethyl) -1,3-Dioxolane