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124929-03-9 | Propanoic acid, 2-(phenylseleno)-, 1,1-dimethylethyl ester
CAS No: 124929-03-9 Catalog No: AG000MWM MDL No:
Product Description
Catalog Number:
AG000MWM
Chemical Name:
Propanoic acid, 2-(phenylseleno)-, 1,1-dimethylethyl ester
CAS Number:
124929-03-9
Molecular Formula:
C13H18O2Se
Molecular Weight:
285.2408
IUPAC Name:
tert-butyl 2-phenylselanylpropanoate
InChI:
InChI=1S/C13H18O2Se/c1-10(12(14)15-13(2,3)4)16-11-8-6-5-7-9-11/h5-10H,1-4H3
InChI Key:
WLODPZMURJABFT-UHFFFAOYSA-N
SMILES:
CC(C(=O)OC(C)(C)C)[Se]c1ccccc1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.047g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.256g/mol
Monoisotopic Mass:
286.047g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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