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1137-61-7 | 2H-Pyran-2,6(3H)-dione, 4-(4-bromophenyl)dihydro-
CAS No: 1137-61-7 Catalog No: AG0009E0 MDL No:MFCD18073118
Product Description
Catalog Number:
AG0009E0
Chemical Name:
2H-Pyran-2,6(3H)-dione, 4-(4-bromophenyl)dihydro-
CAS Number:
1137-61-7
Molecular Formula:
C11H9BrO3
Molecular Weight:
269.0914
MDL Number:
MFCD18073118
IUPAC Name:
4-(4-bromophenyl)oxane-2,6-dione
InChI:
InChI=1S/C11H9BrO3/c12-9-3-1-7(2-4-9)8-5-10(13)15-11(14)6-8/h1-4,8H,5-6H2
InChI Key:
UVZKTNHKBFICNI-UHFFFAOYSA-N
SMILES:
O=C1CC(CC(=O)O1)c1ccc(cc1)Br
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.974g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.094g/mol
Monoisotopic Mass:
267.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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