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23668-07-7 | 2H-Pyran-2-one, 3-bromo-4-hydroxy-6-methyl-
CAS No: 23668-07-7 Catalog No: AG002O3A MDL No:
Product Description
Catalog Number:
AG002O3A
Chemical Name:
2H-Pyran-2-one, 3-bromo-4-hydroxy-6-methyl-
CAS Number:
23668-07-7
Molecular Formula:
C6H5BrO3
Molecular Weight:
205.0061
IUPAC Name:
3-bromo-4-hydroxy-6-methylpyran-2-one
InChI:
InChI=1S/C6H5BrO3/c1-3-2-4(8)5(7)6(9)10-3/h2,8H,1H3
InChI Key:
UXDAQTASWKDWCF-UHFFFAOYSA-N
SMILES:
Cc1cc(O)c(c(=O)o1)Br
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.942g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.007g/mol
Monoisotopic Mass:
203.942g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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