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Indole-3-amidoxime

CAT: 0127-OR1036771Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-OR1036771Size:1 Each
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CAS Number
95649-37-9
MDL Number
MFCD00460181
Purity
98%
Smiles
N=C(C1=CNC2=C1C=CC=C2)NO

Chemical Information

N'-Hydroxy-1H-indole-3-carboximidamide
CAS Number95649-37-9
PubChem CID135555965
IUPAC NameN'-hydroxy-1H-indole-3-carboximidamide
Molecular FormulaC9H9N3O
Molecular Weight175.19
XLogP1.6
Topological Polar Surface Area74.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity217
SMILES
C1=CC=C2C(=C1)C(=CN2)/C(=N/O)/N
InChI
InChI=1S/C9H9N3O/c10-9(12-13)7-5-11-8-4-2-1-3-6(7)8/h1-5,11,13H,(H2,10,12)
InChIKey
GLODAUYNZPGORS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N'-Hydroxy-1H-indole-3-carboximidamide
CAS: 95649-37-9
CID: 135555965
Formula: C9H9N3O
MW: 175.19
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight175.19
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass175.074561919
Monoisotopic Mass175.074561919
Topological Polar Surface Area74.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity217
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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