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99983-31-0 | 4-(BROMOACETYL)-3-HYDROXY-2(5H)-FURANONE
CAS No: 99983-31-0 Catalog No: AG003VI5 MDL No:MFCD18811669
Product Description
Catalog Number:
AG003VI5
Chemical Name:
4-(BROMOACETYL)-3-HYDROXY-2(5H)-FURANONE
CAS Number:
99983-31-0
Molecular Formula:
C6H5BrO4
Molecular Weight:
221.0055
MDL Number:
MFCD18811669
IUPAC Name:
3-(2-bromoacetyl)-4-hydroxy-2H-furan-5-one
InChI:
InChI=1S/C6H5BrO4/c7-1-4(8)3-2-11-6(10)5(3)9/h9H,1-2H2
InChI Key:
BOCBOFNTVIBVOA-UHFFFAOYSA-N
SMILES:
OC1=C(COC1=O)C(=O)CBr
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.937g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.006g/mol
Monoisotopic Mass:
219.937g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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