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A-Tetralone for Synthesis

CAT: 1442-11911980 100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1442-11911980 100Size:100 mg
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CAS Number
529-34-0
Molecular Formula
C10H10O
Molecular Weight
146.19
HSN Code
29142990

Chemical Information

1-Tetralone
CAS Number529-34-0
PubChem CID10724
IUPAC Name3,4-dihydro-2H-naphthalen-1-one
Molecular FormulaC10H10O
Molecular Weight146.19
XLogP2
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity162
SMILES
C1CC2=CC=CC=C2C(=O)C1
InChI
InChI=1S/C10H10O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6H,3,5,7H2
InChIKey
XHLHPRDBBAGVEG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Tetralone
CAS: 529-34-0
CID: 10724
Formula: C10H10O
MW: 146.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight146.19
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass146.073164938
Monoisotopic Mass146.073164938
Topological Polar Surface Area17.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity162
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