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113806-42-1 | 2-Butenoic acid, 2-[(phenylseleno)methyl]-, methyl ester
CAS No: 113806-42-1 Catalog No: AG0009QS MDL No:
Product Description
Catalog Number:
AG0009QS
Chemical Name:
2-Butenoic acid, 2-[(phenylseleno)methyl]-, methyl ester
CAS Number:
113806-42-1
Molecular Formula:
C12H14O2Se
Molecular Weight:
269.1984
IUPAC Name:
methyl 2-(phenylselanylmethyl)but-2-enoate
InChI:
InChI=1S/C12H14O2Se/c1-3-10(12(13)14-2)9-15-11-7-5-4-6-8-11/h3-8H,9H2,1-2H3
InChI Key:
VKWGIQAZWJZDNH-UHFFFAOYSA-N
SMILES:
COC(=O)C(=CC)C[Se]c1ccccc1
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.016g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.213g/mol
Monoisotopic Mass:
270.016g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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