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25966-39-6 | 2(3H)-Furanone, 3-bromodihydro-5-methyl-
CAS No: 25966-39-6 Catalog No: AG002R7X MDL No:MFCD00005388
Product Description
Catalog Number:
AG002R7X
Chemical Name:
2(3H)-Furanone, 3-bromodihydro-5-methyl-
CAS Number:
25966-39-6
Molecular Formula:
C5H7BrO2
Molecular Weight:
179.0119
MDL Number:
MFCD00005388
IUPAC Name:
3-bromo-5-methyloxolan-2-one
InChI:
InChI=1S/C5H7BrO2/c1-3-2-4(6)5(7)8-3/h3-4H,2H2,1H3
InChI Key:
FLOKBGAYTGLYGR-UHFFFAOYSA-N
SMILES:
CC1OC(=O)C(C1)Br
EC Number:
247-380-6
NSC Number:
91486
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.963g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.013g/mol
Monoisotopic Mass:
177.963g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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