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6-Methoxy-2-methyl-3-nitrophenol

CAT: 0127-OR1047094-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1047094-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
164414-06-6
Purity
95%
Smiles
OC1=C(OC)C=CC([N+]([O-])=O)=C1C

Chemical Information

6-Methoxy-2-methyl-3-nitrophenol
CAS Number164414-06-6
PubChem CID10058181
IUPAC Name6-methoxy-2-methyl-3-nitrophenol
Molecular FormulaC8H9NO4
Molecular Weight183.16
XLogP1.7
Topological Polar Surface Area75.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity191
SMILES
CC1=C(C=CC(=C1O)OC)[N+](=O)[O-]
InChI
InChI=1S/C8H9NO4/c1-5-6(9(11)12)3-4-7(13-2)8(5)10/h3-4,10H,1-2H3
InChIKey
WERBGVCZXYBCAV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Methoxy-2-methyl-3-nitrophenol
CAS: 164414-06-6
CID: 10058181
Formula: C8H9NO4
MW: 183.16
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight183.16
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass183.05315777
Monoisotopic Mass183.05315777
Topological Polar Surface Area75.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity191
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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