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89004-80-8 | 2(5H)-Furanone, 5-(2-bromoethylidene)-4-(1,1-dimethylethoxy)-, (Z)-
CAS No: 89004-80-8 Catalog No: AG0044W9 MDL No:
Product Description
Catalog Number:
AG0044W9
Chemical Name:
2(5H)-Furanone, 5-(2-bromoethylidene)-4-(1,1-dimethylethoxy)-, (Z)-
CAS Number:
89004-80-8
Molecular Formula:
C10H13BrO3
Molecular Weight:
261.1124
IUPAC Name:
5-(2-bromoethylidene)-4-[(2-methylpropan-2-yl)oxy]furan-2-one
InChI:
InChI=1S/C10H13BrO3/c1-10(2,3)14-8-6-9(12)13-7(8)4-5-11/h4,6H,5H2,1-3H3
InChI Key:
HTGWYZPXUDPAEI-UHFFFAOYSA-N
SMILES:
BrC/C=C/1\OC(=O)C=C1OC(C)(C)C
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.005g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.115g/mol
Monoisotopic Mass:
260.005g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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