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81577-69-7 | 1,3-Dioxane-4-carboxaldehyde, 5-hydroxy-2-phenyl-, (2R,4R,5R)-
CAS No: 81577-69-7 Catalog No: AG008M0E MDL No:
Product Description
Catalog Number:
AG008M0E
Chemical Name:
1,3-Dioxane-4-carboxaldehyde, 5-hydroxy-2-phenyl-, (2R,4R,5R)-
CAS Number:
81577-69-7
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
IUPAC Name:
(2R,4R,5R)-5-hydroxy-2-phenyl-1,3-dioxane-4-carbaldehyde
InChI:
InChI=1S/C11H12O4/c12-6-10-9(13)7-14-11(15-10)8-4-2-1-3-5-8/h1-6,9-11,13H,7H2/t9-,10+,11-/m1/s1
InChI Key:
WGXOIVORNNWRAD-OUAUKWLOSA-N
SMILES:
O=C[C@@H]1O[C@@H](OC[C@H]1O)c1ccccc1
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
208.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.213g/mol
Monoisotopic Mass:
208.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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