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P-Nitrophenethyl Methyl Ether

CAT: 0024-sc-478166Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-478166Size:1 g
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CAS Number
69628-98-4

Chemical Information

1-(2-Methoxyethyl)-4-nitrobenzene
CAS Number69628-98-4
PubChem CID3017948
IUPAC Name1-(2-methoxyethyl)-4-nitrobenzene
Molecular FormulaC9H11NO3
Molecular Weight181.19
XLogP2
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity159
SMILES
COCCC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H11NO3/c1-13-7-6-8-2-4-9(5-3-8)10(11)12/h2-5H,6-7H2,1H3
InChIKey
VZUJQBDFJZRCBQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-Methoxyethyl)-4-nitrobenzene
CAS: 69628-98-4
CID: 3017948
Formula: C9H11NO3
MW: 181.19
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight181.19
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass181.07389321
Monoisotopic Mass181.07389321
Topological Polar Surface Area55.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity159
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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