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4-Formyl-2-nitrophenol

CAT: 0572-TRC-F700920-25GSize: 25 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-F700920-25GSize:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3011-34-5
Synonyms
4-Hydroxy-3-nitrobenzaldehyde; NSC 138267; 3-Nitro-4-hydroxybenzaldehyde
Hazard Statement
No Data Available
Smiles
Oc1ccc(C=O)cc1[N+](=O)[O-]
Molecular Formula
C7H5NO4
Molecular Weight
167.12
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

4-Hydroxy-3-nitrobenzaldehyde

reagent for reductive alkylation of protein amino groups

CAS Number3011-34-5
PubChem CID18169
IUPAC Name4-hydroxy-3-nitrobenzaldehyde
Molecular FormulaC7H5NO4
Molecular Weight167.12
XLogP1.5
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=C1C=O)[N+](=O)[O-])O
InChI
InChI=1S/C7H5NO4/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-4,10H
InChIKey
YTHJCZRFJGXPTL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxy-3-nitrobenzaldehyde
CAS: 3011-34-5
CID: 18169
Formula: C7H5NO4
MW: 167.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight167.12
XLogP31.5
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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