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113892-48-1 | Propanoic acid, 2-(phenylseleno)-, methyl ester, (2S)-
CAS No: 113892-48-1 Catalog No: AG000A0D MDL No:
Product Description
Catalog Number:
AG000A0D
Chemical Name:
Propanoic acid, 2-(phenylseleno)-, methyl ester, (2S)-
CAS Number:
113892-48-1
Molecular Formula:
C10H12O2Se
Molecular Weight:
243.1611
IUPAC Name:
methyl 2-phenylselanylpropanoate
InChI:
InChI=1S/C10H12O2Se/c1-8(10(11)12-2)13-9-6-4-3-5-7-9/h3-8H,1-2H3
InChI Key:
DKZLRHAWHGRRIX-UHFFFAOYSA-N
SMILES:
COC(=O)[C@@H]([Se]c1ccccc1)C
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.175g/mol
Monoisotopic Mass:
244g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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