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113895-83-3 | 2H-Pyran-2,5-diol
CAS No: 113895-83-3 Catalog No: AG000A14 MDL No:
Product Description
Catalog Number:
AG000A14
Chemical Name:
2H-Pyran-2,5-diol
CAS Number:
113895-83-3
Molecular Formula:
C5H6O3
Molecular Weight:
114.0993
IUPAC Name:
2H-pyran-2,5-diol
InChI:
InChI=1S/C5H6O3/c6-4-1-2-5(7)8-3-4/h1-3,5-7H
InChI Key:
PEDLYFHAWJPBKB-UHFFFAOYSA-N
SMILES:
OC1OC=C(C=C1)O
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.032g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
114.1g/mol
Monoisotopic Mass:
114.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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