5-Nitro-1-pentene

CAT: 0024-sc-233422Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-233422Size:250 mg

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CAS Number

23542-51-0

Chemical Information

5-Nitropent-1-ene

CAS Number	23542-51-0
PubChem CID	534297
IUPAC Name	5-nitropent-1-ene
Molecular Formula	C5H9NO2
Molecular Weight	115.13
XLogP	1.5
Topological Polar Surface Area	45.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	84

SMILES

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

InChI

InChI=1S/C5H9NO2/c1-2-3-4-5-6(7)8/h2H,1,3-5H2

InChIKey

NPFOLTHIKZSVPQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 23542-51-0

CID: 534297

Formula: C5H9NO2

MW: 115.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	115.13
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	115.063328530
Monoisotopic Mass	115.063328530
Topological Polar Surface Area	45.8 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	84.9
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