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114533-59-4 | 2(5H)-Furanone, 3-hydroxy-4-(2-hydroxyethyl)-
CAS No: 114533-59-4 Catalog No: AG000ENS MDL No:
Product Description
Catalog Number:
AG000ENS
Chemical Name:
2(5H)-Furanone, 3-hydroxy-4-(2-hydroxyethyl)-
CAS Number:
114533-59-4
Molecular Formula:
C6H8O4
Molecular Weight:
144.1253
IUPAC Name:
4-hydroxy-3-(2-hydroxyethyl)-2H-furan-5-one
InChI:
InChI=1S/C6H8O4/c7-2-1-4-3-10-6(9)5(4)8/h7-8H,1-3H2
InChI Key:
BPLVXTDBBDMMEY-UHFFFAOYSA-N
SMILES:
OC1=C(CCO)COC1=O
Properties
Complexity:
182
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:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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