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Mesalazine EP Impurity N

CAT: 1506-KL-02-01512Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1506-KL-02-01512Size:100 mg
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CAS Number
96-97-9
Specifications
Impurity

Chemical Information

5-Nitrosalicylic acid

5-nitrosalicylic acid is a monohydroxybenzoic acid in which the hydroxy group is ortho- to the carboxylic acid group and which has a nitro substituent para- to the phenolic hydroxy group. It is a monohydroxybenzoic acid and a member of 4-nitrophenols. It is a conjugate acid of a 5-nitrosalicylate.

CAS Number96-97-9
PubChem CID7318
IUPAC Name2-hydroxy-5-nitrobenzoic acid
Molecular FormulaC7H5NO5
Molecular Weight183.12
XLogP2.3
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity223
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)O
InChI
InChI=1S/C7H5NO5/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,9H,(H,10,11)
InChIKey
PPDRLQLKHRZIJC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Nitrosalicylic acid
CAS: 96-97-9
CID: 7318
Formula: C7H5NO5
MW: 183.12
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight183.12
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass183.01677226
Monoisotopic Mass183.01677226
Topological Polar Surface Area103 Ų
Heavy Atom Count13
Formal Charge0
Complexity223
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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