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3-Ethoxy-2-hydroxy-β-nitrostyrene

CAT: 0024-sc-312912Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-312912Size:1 g
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CAS Number
206559-62-8

Chemical Information

2-Ethoxy-6-(2-nitroethenyl)phenol
CAS Number206559-62-8
PubChem CID2758749
IUPAC Name2-ethoxy-6-(2-nitroethenyl)phenol
Molecular FormulaC10H11NO4
Molecular Weight209.20
XLogP2.2
Topological Polar Surface Area75.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity236
SMILES
CCOC1=CC=CC(=C1O)C=C[N+](=O)[O-]
InChI
InChI=1S/C10H11NO4/c1-2-15-9-5-3-4-8(10(9)12)6-7-11(13)14/h3-7,12H,2H2,1H3
InChIKey
IYDHELOQZJRCML-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethoxy-6-(2-nitroethenyl)phenol
CAS: 206559-62-8
CID: 2758749
Formula: C10H11NO4
MW: 209.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight209.20
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass209.06880783
Monoisotopic Mass209.06880783
Topological Polar Surface Area75.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity236
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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