(2-Nitroethenyl) cyclopropane

CAT: 0127-OR956249Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR956249Size:1 g

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CAS Number

1175052-41-1

MDL Number

MFCD16707055

Purity

95%

Smiles

[O-][N+](=O)\C=C\C1CC1

Chemical Information

Cyclopropane, (2-nitroethenyl)-, (E)-

CAS Number	1175052-41-1
PubChem CID	14978083
IUPAC Name	[(E)-2-nitroethenyl]cyclopropane
Molecular Formula	C5H7NO2
Molecular Weight	113.11
XLogP	1.5
Topological Polar Surface Area	45.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	121

SMILES

C1CC1/C=C/[N+](=O)[O-]

InChI

InChI=1S/C5H7NO2/c7-6(8)4-3-5-1-2-5/h3-5H,1-2H2/b4-3+

InChIKey

IPCAGMYVDOFLFU-ONEGZZNKSA-N

Chemical Structure

2D Structure

CAS: 1175052-41-1

CID: 14978083

Formula: C5H7NO2

MW: 113.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	113.11
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	113.047678466
Monoisotopic Mass	113.047678466
Topological Polar Surface Area	45.8 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	121
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1002421-01	(2-Nitroethenyl) cyclobutane
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OR1037896	(2-Chloroethoxy) cyclopropane
OR41170-01	(2-Bromoethyl) cyclopropane
OR1032234-01	[ (e) -2-nitroethenyl]cyclohexane
OR55510-01	Cyclopropane
OR1012747-01	Cyclopropane-1,2-Dicarboxylic Acid
OR55008-01	Diethyl cyclopropane-1,2-dicarboxylate
OR28323-01	(Bromomethyl) cyclopropane
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Catalog	Name
KNA44919	(2-Iodoethyl) cyclopropane
HYB29480-01	(2-Bromoethoxy) cyclopropane
LBA98256-01	(2-Bromoethyl) cyclopropane
RFC40729-01	(2,2,2-Trimethoxyethyl) cyclopropane
sc-321947	(2,2,2-Trifluoroethyl) cyclopropane
sc-283034A	(2-Chloro-ethoxy) -cyclopropane
GCA98804-01	[ (2-Bromoethoxy) methyl]cyclopropane
sc-213245	1- (2,2-Dibromoethenyl) cyclopropane
MBS6035385-01	1-(2,2-Dibromoethenyl)cyclopropane
AQ C3 0064-01	Cyclopropane-1,1,2,2-tetracarbonitrile