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89113-84-8 | Butanoic acid, 3-ethoxy-2,2-dimethyl-4-(phenylseleno)-, methyl ester
CAS No: 89113-84-8 Catalog No: AG003ZIZ MDL No:
Product Description
Catalog Number:
AG003ZIZ
Chemical Name:
Butanoic acid, 3-ethoxy-2,2-dimethyl-4-(phenylseleno)-, methyl ester
CAS Number:
89113-84-8
Molecular Formula:
C15H22O3Se
Molecular Weight:
329.2934
IUPAC Name:
methyl 3-ethoxy-2,2-dimethyl-4-phenylselanylbutanoate
InChI:
InChI=1S/C15H22O3Se/c1-5-18-13(15(2,3)14(16)17-4)11-19-12-9-7-6-8-10-12/h6-10,13H,5,11H2,1-4H3
InChI Key:
ITFGJMUBPKFOHD-UHFFFAOYSA-N
SMILES:
CCOC(C(C(=O)OC)(C)C)C[Se]c1ccccc1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.073g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.309g/mol
Monoisotopic Mass:
330.073g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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