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878007-08-0 | 5-(2-Hydroxyethyl);furan-2(3H);-one
CAS No: 878007-08-0 Catalog No: AG004I4O MDL No:MFCD20921913
Product Description
Catalog Number:
AG004I4O
Chemical Name:
5-(2-Hydroxyethyl);furan-2(3H);-one
CAS Number:
878007-08-0
Molecular Formula:
C6H8O3
Molecular Weight:
128.1259
MDL Number:
MFCD20921913
IUPAC Name:
5-(2-hydroxyethyl)-3H-furan-2-one
InChI:
InChI=1S/C6H8O3/c7-4-3-5-1-2-6(8)9-5/h1,7H,2-4H2
InChI Key:
CPFWDKHAGLQDFF-UHFFFAOYSA-N
SMILES:
OCCC1=CCC(=O)O1
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.047g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
128.127g/mol
Monoisotopic Mass:
128.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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