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138416-14-5 | 2(3H)-Furanone, 5-(2-bromo-2-propen-1-yl)dihydro-5-methyl-
CAS No: 138416-14-5 Catalog No: AG001934 MDL No:
Product Description
Catalog Number:
AG001934
Chemical Name:
2(3H)-Furanone, 5-(2-bromo-2-propen-1-yl)dihydro-5-methyl-
CAS Number:
138416-14-5
Molecular Formula:
C8H11BrO2
Molecular Weight:
219.0757
IUPAC Name:
5-(2-bromoprop-2-enyl)-5-methyloxolan-2-one
InChI:
InChI=1S/C8H11BrO2/c1-6(9)5-8(2)4-3-7(10)11-8/h1,3-5H2,2H3
InChI Key:
XQUIWYUFVUWIFH-UHFFFAOYSA-N
SMILES:
CC1(CC(=C)Br)CCC(=O)O1
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.994g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.078g/mol
Monoisotopic Mass:
217.994g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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