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125974-06-3 | 2(5H)-Furanone, 4-(chloromethyl)-5-hydroxy-
CAS No: 125974-06-3 Catalog No: AG000QMP MDL No:
Product Description
Catalog Number:
AG000QMP
Chemical Name:
2(5H)-Furanone, 4-(chloromethyl)-5-hydroxy-
CAS Number:
125974-06-3
Molecular Formula:
C5H5ClO3
Molecular Weight:
148.5444
IUPAC Name:
3-(chloromethyl)-2-hydroxy-2H-furan-5-one
InChI:
InChI=1S/C5H5ClO3/c6-2-3-1-4(7)9-5(3)8/h1,5,8H,2H2
InChI Key:
CGGKPVLGRJYRIP-UHFFFAOYSA-N
SMILES:
OC1OC(=O)C=C1CCl
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.993g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
148.542g/mol
Monoisotopic Mass:
147.993g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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