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252006-38-5 | 2H-Pyran-3(6H)-one, 2-hydroxy-6-(hydroxymethyl)-, (6R)-
CAS No: 252006-38-5 Catalog No: AG002QWC MDL No:
Product Description
Catalog Number:
AG002QWC
Chemical Name:
2H-Pyran-3(6H)-one, 2-hydroxy-6-(hydroxymethyl)-, (6R)-
CAS Number:
252006-38-5
Molecular Formula:
C6H8O4
Molecular Weight:
144.1253
IUPAC Name:
(2R)-6-hydroxy-2-(hydroxymethyl)-2H-pyran-5-one
InChI:
InChI=1S/C6H8O4/c7-3-4-1-2-5(8)6(9)10-4/h1-2,4,6-7,9H,3H2/t4-,6?/m1/s1
InChI Key:
WNKYVCKDIDTELO-NJXYFUOMSA-N
SMILES:
OC[C@H]1C=CC(=O)C(O1)O
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
144.042g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
144.126g/mol
Monoisotopic Mass:
144.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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