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1935013-70-9 | 5-ethynyl-3-methyl-1,2-oxazole
CAS No: 1935013-70-9 Catalog No: AG01DRIC MDL No:MFCD31463848
Product Description
Catalog Number:
AG01DRIC
Chemical Name:
5-ethynyl-3-methyl-1,2-oxazole
CAS Number:
1935013-70-9
Molecular Formula:
C6H5NO
Molecular Weight:
107.1100
MDL Number:
MFCD31463848
IUPAC Name:
5-ethynyl-3-methyl-1,2-oxazole
InChI:
InChI=1S/C6H5NO/c1-3-6-4-5(2)7-8-6/h1,4H,2H3
InChI Key:
FEQKQRACAJCEQV-UHFFFAOYSA-N
SMILES:
Cc1cc(on1)C#C
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
107.037g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
107.112g/mol
Monoisotopic Mass:
107.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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