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147235-40-3 | 4H-Pyran-4-one, 2,3-dihydro-3,5-dihydroxy-
CAS No: 147235-40-3 Catalog No: AG001EQ2 MDL No:
Product Description
Catalog Number:
AG001EQ2
Chemical Name:
4H-Pyran-4-one, 2,3-dihydro-3,5-dihydroxy-
CAS Number:
147235-40-3
Molecular Formula:
C5H6O4
Molecular Weight:
130.0987
IUPAC Name:
3,5-dihydroxy-2,3-dihydropyran-4-one
InChI:
InChI=1S/C5H6O4/c6-3-1-9-2-4(7)5(3)8/h1,4,6-7H,2H2
InChI Key:
QVQTZFXVGAPBRV-UHFFFAOYSA-N
SMILES:
OC1COC=C(C1=O)O
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.027g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
130.099g/mol
Monoisotopic Mass:
130.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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