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148728-48-7 | Pentanedioic acid, 3-bromo-2-oxo-, 1,5-dimethyl ester
CAS No: 148728-48-7 Catalog No: AG001L69 MDL No:MFCD20526357
Product Description
Catalog Number:
AG001L69
Chemical Name:
Pentanedioic acid, 3-bromo-2-oxo-, 1,5-dimethyl ester
CAS Number:
148728-48-7
Molecular Formula:
C7H9BrO5
Molecular Weight:
253.0474
MDL Number:
MFCD20526357
IUPAC Name:
dimethyl 3-bromo-2-oxopentanedioate
InChI:
InChI=1S/C7H9BrO5/c1-12-5(9)3-4(8)6(10)7(11)13-2/h4H,3H2,1-2H3
InChI Key:
MILNARYFLZZSHA-UHFFFAOYSA-N
SMILES:
COC(=O)CC(C(=O)C(=O)OC)Br
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.963g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.048g/mol
Monoisotopic Mass:
251.963g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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