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139760-41-1 | 2(5H)-Furanone, 3-bromo-5-hydroxy-4-methyl-
CAS No: 139760-41-1 Catalog No: AG001BOP MDL No:MFCD28048834
Product Description
Catalog Number:
AG001BOP
Chemical Name:
2(5H)-Furanone, 3-bromo-5-hydroxy-4-methyl-
CAS Number:
139760-41-1
Molecular Formula:
C5H5BrO3
Molecular Weight:
192.9954
MDL Number:
MFCD28048834
IUPAC Name:
4-bromo-2-hydroxy-3-methyl-2H-furan-5-one
InChI:
InChI=1S/C5H5BrO3/c1-2-3(6)5(8)9-4(2)7/h4,7H,1H3
InChI Key:
KSHGAQAVXQEYEQ-UHFFFAOYSA-N
SMILES:
OC1OC(=O)C(=C1C)Br
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.942g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.996g/mol
Monoisotopic Mass:
191.942g/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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