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81266-43-5 | Cyclopentaneheptanoic acid, 1-bromo-2-oxo-, methyl ester
CAS No: 81266-43-5 Catalog No: AG004YPH MDL No:
Product Description
Catalog Number:
AG004YPH
Chemical Name:
Cyclopentaneheptanoic acid, 1-bromo-2-oxo-, methyl ester
CAS Number:
81266-43-5
Molecular Formula:
C13H21BrO3
Molecular Weight:
305.2080
IUPAC Name:
methyl 7-(1-bromo-2-oxocyclopentyl)heptanoate
InChI:
InChI=1S/C13H21BrO3/c1-17-12(16)8-4-2-3-5-9-13(14)10-6-7-11(13)15/h2-10H2,1H3
InChI Key:
FOHBXYKXCPJRGC-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCCC1(Br)CCCC1=O
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.212g/mol
Monoisotopic Mass:
304.067g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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