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4-Formylindazole

CAT: 0024-sc-261983Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-261983Size:500 mg
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CAS Number
669050-70-8

Chemical Information

1H-indazole-4-carbaldehyde
CAS Number669050-70-8
PubChem CID45083569
IUPAC Name1H-indazole-4-carbaldehyde
Molecular FormulaC8H6N2O
Molecular Weight146.15
XLogP1
Topological Polar Surface Area45.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity160
SMILES
C1=CC(=C2C=NNC2=C1)C=O
InChI
InChI=1S/C8H6N2O/c11-5-6-2-1-3-8-7(6)4-9-10-8/h1-5H,(H,9,10)
InChIKey
FPJXNCKSPFGQGC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1H-indazole-4-carbaldehyde
CAS: 669050-70-8
CID: 45083569
Formula: C8H6N2O
MW: 146.15
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight146.15
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass146.048012819
Monoisotopic Mass146.048012819
Topological Polar Surface Area45.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity160
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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