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140130-10-5

140130-10-5 | Oxazole, 5-methyl-2-phenyl-4-(2-propyn-1-yl)-

CAS No: 140130-10-5 Catalog No: AG001C1Z MDL No:

Product Description

Catalog Number:
AG001C1Z
Chemical Name:
Oxazole, 5-methyl-2-phenyl-4-(2-propyn-1-yl)-
CAS Number:
140130-10-5
Molecular Formula:
C13H11NO
Molecular Weight:
197.2325
IUPAC Name:
5-methyl-2-phenyl-4-prop-2-ynyl-1,3-oxazole
InChI:
InChI=1S/C13H11NO/c1-3-7-12-10(2)15-13(14-12)11-8-5-4-6-9-11/h1,4-6,8-9H,7H2,2H3
InChI Key:
YFYDKKBZBXKZPR-UHFFFAOYSA-N
SMILES:
C#CCc1nc(oc1C)c1ccccc1

Properties

Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.084g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.237g/mol
Monoisotopic Mass:
197.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

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