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2-Nitro-1-phenylpropene

CAT: 0024-sc-288262Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-288262Size:1 g
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CAS Number
705-60-2

Chemical Information

1-Phenyl-2-nitropropene

RN given refers to cpd without isomeric designation

CAS Number705-60-2
PubChem CID1549520
IUPAC Name[(E)-2-nitroprop-1-enyl]benzene
Molecular FormulaC9H9NO2
Molecular Weight163.17
XLogP2.5
Topological Polar Surface Area45.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity187
SMILES
C/C(=C\C1=CC=CC=C1)/[N+](=O)[O-]
InChI
InChI=1S/C9H9NO2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3/b8-7+
InChIKey
WGSVFWFSJDAYBM-BQYQJAHWSA-N
Chemical Structure
2D Structure
2D structure of 1-Phenyl-2-nitropropene
CAS: 705-60-2
CID: 1549520
Formula: C9H9NO2
MW: 163.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight163.17
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass163.063328530
Monoisotopic Mass163.063328530
Topological Polar Surface Area45.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity187
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
230612-012-Nitro-1-phenylpropene
FC145666-013- (2-Chlorophenyl) -1-phenylpropene-1-one
5584813-Oxo-3-phenylpropene
275108-01(2RS,3RS) -3- (2-Ethoxyphenoxy) -3-phenylpropene-1,2-epoxide
MBS6027573-01(2RS,3RS)-3-(2-Ethoxyphenoxy)-3-phenylpropene-1,2-epoxide
AAA55060-011-Nitro-2-naphthol
DAA07953-011-Nitro-2-propoxybenzene
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