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14594-23-1 | Pentanoic acid, 5-bromo-4-oxo-
CAS No: 14594-23-1 Catalog No: AG001DJM MDL No:
Product Description
Catalog Number:
AG001DJM
Chemical Name:
Pentanoic acid, 5-bromo-4-oxo-
CAS Number:
14594-23-1
Molecular Formula:
C5H7BrO3
Molecular Weight:
195.0113
IUPAC Name:
5-bromo-4-oxopentanoic acid
InChI:
InChI=1S/C5H7BrO3/c6-3-4(7)1-2-5(8)9/h1-3H2,(H,8,9)
InChI Key:
XTIKIVWSYBVJJK-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(=O)CBr
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.958g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.012g/mol
Monoisotopic Mass:
193.958g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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