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2-Methoxy-6-nitrophenol

CAT: 0127-OR310383Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-OR310383Size:1 Each
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CAS Number
15969-08-1
MDL Number
MFCD08693430
Purity
95%
Smiles
COc1cccc(c1O)[N+](=O)[O-]

Chemical Information

2-Methoxy-6-nitrophenol
CAS Number15969-08-1
PubChem CID10942855
IUPAC Name2-methoxy-6-nitrophenol
Molecular FormulaC7H7NO4
Molecular Weight169.13
XLogP1.1
Topological Polar Surface Area75.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity167
SMILES
COC1=CC=CC(=C1O)[N+](=O)[O-]
InChI
InChI=1S/C7H7NO4/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4,9H,1H3
InChIKey
WRXFJKBQZVRPHI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methoxy-6-nitrophenol
CAS: 15969-08-1
CID: 10942855
Formula: C7H7NO4
MW: 169.13
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight169.13
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass169.03750770
Monoisotopic Mass169.03750770
Topological Polar Surface Area75.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity167
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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