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122651-70-1 | Butanoic acid, 4-(methylseleno)-2-oxo-
CAS No: 122651-70-1 Catalog No: AG0017KW MDL No:
Product Description
Catalog Number:
AG0017KW
Chemical Name:
Butanoic acid, 4-(methylseleno)-2-oxo-
CAS Number:
122651-70-1
Molecular Formula:
C5H8O3Se
Molecular Weight:
195.0752
IUPAC Name:
4-methylselanyl-2-oxobutanoic acid
InChI:
InChI=1S/C5H8O3Se/c1-9-3-2-4(6)5(7)8/h2-3H2,1H3,(H,7,8)
InChI Key:
XAXSOIXWIMTBOZ-UHFFFAOYSA-N
SMILES:
C[Se]CCC(=O)C(=O)O
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.964g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.087g/mol
Monoisotopic Mass:
195.964g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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