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146552-76-3 | L-Alanine, 3-[[(4-methoxyphenyl)methyl]seleno]-
CAS No: 146552-76-3 Catalog No: AG001E54 MDL No:
Product Description
Catalog Number:
AG001E54
Chemical Name:
L-Alanine, 3-[[(4-methoxyphenyl)methyl]seleno]-
CAS Number:
146552-76-3
Molecular Formula:
C11H15NO3Se
Molecular Weight:
288.2017
IUPAC Name:
(2R)-2-amino-3-[(4-methoxyphenyl)methylselanyl]propanoic acid
InChI:
InChI=1S/C11H15NO3Se/c1-15-9-4-2-8(3-5-9)6-16-7-10(12)11(13)14/h2-5,10H,6-7,12H2,1H3,(H,13,14)/t10-/m0/s1
InChI Key:
JWOVEICZZWRECX-JTQLQIEISA-N
SMILES:
COc1ccc(cc1)C[Se]C[C@@H](C(=O)O)N
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
289.022g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.216g/mol
Monoisotopic Mass:
289.022g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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