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148367-31-1 | 4-Pentynoic acid, 5-(phenylseleno)-, methyl ester
CAS No: 148367-31-1 Catalog No: AG001FM5 MDL No:
Product Description
Catalog Number:
AG001FM5
Chemical Name:
4-Pentynoic acid, 5-(phenylseleno)-, methyl ester
CAS Number:
148367-31-1
Molecular Formula:
C12H12O2Se
Molecular Weight:
267.1825
IUPAC Name:
methyl 5-phenylselanylpent-4-ynoate
InChI:
InChI=1S/C12H12O2Se/c1-14-12(13)9-5-6-10-15-11-7-3-2-4-8-11/h2-4,7-8H,5,9H2,1H3
InChI Key:
NUWAPLBXFYPTRC-UHFFFAOYSA-N
SMILES:
COC(=O)CCC#C[Se]c1ccccc1
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.197g/mol
Monoisotopic Mass:
268g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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