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4-Methoxy-3-nitrophenol

CAT: 0572-TRC-M265888-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M265888-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
15174-02-4
Synonyms
4-Hydroxy-2-nitroanisole
Hazard Statement
Causes skin irritation.
Purity
>95% (HPLC)
Smiles
COc1ccc(O)cc1[N+](=O)[O-]
Molecular Formula
C7H7NO4
Molecular Weight
169.13
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4-Methoxy-3-nitrophenol
CAS Number15174-02-4
PubChem CID14958907
IUPAC Name4-methoxy-3-nitrophenol
Molecular FormulaC7H7NO4
Molecular Weight169.13
XLogP1.5
Topological Polar Surface Area75.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity167
SMILES
COC1=C(C=C(C=C1)O)[N+](=O)[O-]
InChI
InChI=1S/C7H7NO4/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,9H,1H3
InChIKey
AADXAMFLYDYIFS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methoxy-3-nitrophenol
CAS: 15174-02-4
CID: 14958907
Formula: C7H7NO4
MW: 169.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight169.13
XLogP31.5
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