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501944-63-4 | 5-(4-Ethynylphenyl)oxazole
CAS No: 501944-63-4 Catalog No: AG006VQQ MDL No:MFCD08435847
Product Description
Catalog Number:
AG006VQQ
Chemical Name:
5-(4-Ethynylphenyl)oxazole
CAS Number:
501944-63-4
Molecular Formula:
C11H7NO
Molecular Weight:
169.1794
MDL Number:
MFCD08435847
IUPAC Name:
5-(4-ethynylphenyl)-1,3-oxazole
InChI:
InChI=1S/C11H7NO/c1-2-9-3-5-10(6-4-9)11-7-12-8-13-11/h1,3-8H
InChI Key:
CYRYZDZQFDRTHD-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(cc1)c1cnco1
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.053g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.183g/mol
Monoisotopic Mass:
169.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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