4H-Pyran-4-one, 5-hydroxy-2-(hydroxymethyl)-


Chemical Name: 4H-Pyran-4-one, 5-hydroxy-2-(hydroxymethyl)-
CAS Number: 501-30-4
Product Number: AG00I8YA(AGN-PC-0JK6OS)
Synonyms:
MDL No:
Molecular Formula: C6H6O4
Molecular Weight: 142.1094

Identification/Properties


Computed Properties
Molecular Weight:
142.11g/mol
XLogP3:
-0.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
142.027g/mol
Monoisotopic Mass:
142.027g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
214
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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