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2-Hydroxy-4-nitrobenzoic acid

CAT: 0926-H-6905-01Size: 50 gDry Ice: NoHazardous: No
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CAT#:0926-H-6905-01Size:50 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
619-19-2
Synonyms
4-Nitrosalicylic acid
MDL Number
MFCD00071505
Smiles
C1=CC (=C (C=C1[N+] (=O) [O-]) O) C (=O) O
Molecular Formula
C7H5NO5
Molecular Weight
183.12 g/mol
Controlled
No

Chemical Information

4-Nitrosalicylic acid
CAS Number619-19-2
PubChem CID69266
IUPAC Name2-hydroxy-4-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-])O)C(=O)O
InChI
InChI=1S/C7H5NO5/c9-6-3-4(8(12)13)1-2-5(6)7(10)11/h1-3,9H,(H,10,11)
InChIKey
UKWUOTZGXIZAJC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Nitrosalicylic acid
CAS: 619-19-2
CID: 69266
Formula: C7H5NO5
MW: 183.12
Interactive 3D Structure
Loading 3D structure...
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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