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132559-91-2 | 2H-Pyran-2-one, 4-bromo-6-methyl-
CAS No: 132559-91-2 Catalog No: AG0010U1 MDL No:MFCD23136928
Product Description
Catalog Number:
AG0010U1
Chemical Name:
2H-Pyran-2-one, 4-bromo-6-methyl-
CAS Number:
132559-91-2
Molecular Formula:
C6H5BrO2
Molecular Weight:
189.0067
MDL Number:
MFCD23136928
IUPAC Name:
4-bromo-6-methylpyran-2-one
InChI:
InChI=1S/C6H5BrO2/c1-4-2-5(7)3-6(8)9-4/h2-3H,1H3
InChI Key:
LLFSFJYWGVKYRP-UHFFFAOYSA-N
SMILES:
Brc1cc(C)oc(=O)c1
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.947g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.008g/mol
Monoisotopic Mass:
187.947g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| 2-pyrones possessing antimicrobial and cytotoxic activities. | Bioorganic & medicinal chemistry 20040801 |
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