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1. Introduction of 5-Hydroxy-1-tetralone
The 5-Hydroxy-1-tetralone, with its CAS NO 28315-93-7, is a kind of white to off-white powder. It has synonyms of 1,2,3,4-Tetrahydro-1-oxo-5-hydroxynaphthalene;3,4-Dihydro-5-hydroxy-1(2H)-naphthalenone;5-Hydroxy-3,4-dihydro-1(2H)-naphthalenone;5-Hydroxy-a-tetralone;5-Hydroxytetralone and 5-Hydroxy-1-tetralone.
2. Structure descriptors of 5-Hydroxy-1-tetralone
IUPAC Name: 5-hydroxy-3,4-dihydro-2H-naphthalen-1-one
InChI: InChI=1S/C10H10O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1,3,5,11H,2,4,6H2
InChIKey: YPPZCRZRQHFRBH-UHFFFAOYSA-N
Canonical SMILES : C1CC2=C(C=CC=C2O)C(=O)C1
3. Properties of 5-Hydroxy-1-tetralone
Molecular Weight 162.1852 [g/mol]
Molecular Formula C10H10O2
XLogP3 2.1
H-Bond Donor 1
H-Bond Acceptor 2
Tautomer Count 33
Exact Mass 162.06808
MonoIsotopic Mass 162.06808
Topological Polar Surface Area 37.3
Heavy Atom Count 12
Complexity 188
Covalently-Bonded Unit Count 1
Feature 3D Acceptor Count 1
Feature 3D Donor Count 1
Feature 3D Ring Count 2
Effective Rotor Count 0.6
Conformer Sampling RMSD 0.4
CID Conformer Count 1
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