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87068-62-0 | 1,3-Dioxane-4-carboxaldehyde, 5-hydroxy-2-methyl-, (2S,4S,5R)-
CAS No: 87068-62-0 Catalog No: AG004GIF MDL No:
Product Description
Catalog Number:
AG004GIF
Chemical Name:
1,3-Dioxane-4-carboxaldehyde, 5-hydroxy-2-methyl-, (2S,4S,5R)-
CAS Number:
87068-62-0
Molecular Formula:
C6H10O4
Molecular Weight:
146.1412
IUPAC Name:
(2S,4S,5R)-5-hydroxy-2-methyl-1,3-dioxane-4-carbaldehyde
InChI:
InChI=1S/C6H10O4/c1-4-9-3-5(8)6(2-7)10-4/h2,4-6,8H,3H2,1H3/t4-,5+,6+/m0/s1
InChI Key:
HVAFLFRNUVFTBL-KVQBGUIXSA-N
SMILES:
O=C[C@H]1O[C@@H](C)OC[C@H]1O
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
146.058g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.142g/mol
Monoisotopic Mass:
146.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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