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142182-45-4 | 2H-Pyran-3(6H)-one, 2,4-dihydroxy-2-methyl-
CAS No: 142182-45-4 Catalog No: AG001HWQ MDL No:
Product Description
Catalog Number:
AG001HWQ
Chemical Name:
2H-Pyran-3(6H)-one, 2,4-dihydroxy-2-methyl-
CAS Number:
142182-45-4
Molecular Formula:
C6H8O4
Molecular Weight:
144.1253
IUPAC Name:
4,6-dihydroxy-6-methyl-2H-pyran-5-one
InChI:
InChI=1S/C6H8O4/c1-6(9)5(8)4(7)2-3-10-6/h2,7,9H,3H2,1H3
InChI Key:
MAJMTWUGPSQOCM-UHFFFAOYSA-N
SMILES:
OC1=CCOC(C1=O)(C)O
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
0
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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