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21053-73-6 | 2(5H)-Furanone, 3-hydroxy-5-methyl-
CAS No: 21053-73-6 Catalog No: AG002KU7 MDL No:
Product Description
Catalog Number:
AG002KU7
Chemical Name:
2(5H)-Furanone, 3-hydroxy-5-methyl-
CAS Number:
21053-73-6
Molecular Formula:
C5H6O3
Molecular Weight:
114.0993
IUPAC Name:
4-hydroxy-2-methyl-2H-furan-5-one
InChI:
InChI=1S/C5H6O3/c1-3-2-4(6)5(7)8-3/h2-3,6H,1H3
InChI Key:
JCGQVJRAKXPFNF-UHFFFAOYSA-N
SMILES:
CC1OC(=O)C(=C1)O
Properties
Complexity:
148
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:
1
Isotope Atom Count:
0
Molecular Weight:
114.1g/mol
Monoisotopic Mass:
114.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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