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188053-98-7 | 2H-Pyran-4-ol, tetrahydro-2-phenyl-, (2R,4R)-
CAS No: 188053-98-7 Catalog No: AG002GO0 MDL No:
Product Description
Catalog Number:
AG002GO0
Chemical Name:
2H-Pyran-4-ol, tetrahydro-2-phenyl-, (2R,4R)-
CAS Number:
188053-98-7
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
IUPAC Name:
(2R,4R)-2-phenyloxan-4-ol
InChI:
InChI=1S/C11H14O2/c12-10-6-7-13-11(8-10)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2/t10-,11-/m1/s1
InChI Key:
VPXLNWRTGPPGRS-GHMZBOCLSA-N
SMILES:
O[C@@H]1CCO[C@H](C1)c1ccccc1
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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