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4-Methoxy-2-nitrophenol

CAT: 0024-sc-226709Size: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-226709Size:25 g
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CAS Number
1568-70-3

Chemical Information

Phenol, 4-methoxy-2-nitro-
CAS Number1568-70-3
PubChem CID15285
IUPAC Name4-methoxy-2-nitrophenol
Molecular FormulaC7H7NO4
Molecular Weight169.13
XLogP2
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(=C(C=C1)O)[N+](=O)[O-]
InChI
InChI=1S/C7H7NO4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3
InChIKey
YBUGOACXDPDUIR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phenol, 4-methoxy-2-nitro-
CAS: 1568-70-3
CID: 15285
Formula: C7H7NO4
MW: 169.13
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight169.13
XLogP32
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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