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2-Hydroxy-3-nitrobenzaldehyde

CAT: 0013-GTR19280664-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19280664-01Size:10 mg
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Description
2-Hydroxy-3-nitrobenzaldehyde is an impurity found in pharmaceuticals.
CAS Number
5274-70-4
Smiles
O=CC1=CC=CC (=C1O) N (=O) =O
Molecular Formula
C7H5NO4
Molecular Weight
167.12
Notes
For research use only.

Chemical Information

2-Hydroxy-3-nitrobenzaldehyde
CAS Number5274-70-4
PubChem CID78934
IUPAC Name2-hydroxy-3-nitrobenzaldehyde
Molecular FormulaC7H5NO4
Molecular Weight167.12
XLogP1
Topological Polar Surface Area83.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity188
SMILES
C1=CC(=C(C(=C1)[N+](=O)[O-])O)C=O
InChI
InChI=1S/C7H5NO4/c9-4-5-2-1-3-6(7(5)10)8(11)12/h1-4,10H
InChIKey
NUGOTBXFVWXVTE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxy-3-nitrobenzaldehyde
CAS: 5274-70-4
CID: 78934
Formula: C7H5NO4
MW: 167.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight167.12
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass167.02185764
Monoisotopic Mass167.02185764
Topological Polar Surface Area83.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity188
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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