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5998-92-5 | 2-pyridin-4-yl-1,3-oxazole
CAS No: 5998-92-5 Catalog No: AG019END MDL No:MFCD00956160
Product Description
Catalog Number:
AG019END
Chemical Name:
2-pyridin-4-yl-1,3-oxazole
CAS Number:
5998-92-5
Molecular Formula:
C8H6N2O
Molecular Weight:
146.1460
MDL Number:
MFCD00956160
IUPAC Name:
2-pyridin-4-yl-1,3-oxazole
InChI:
InChI=1S/C8H6N2O/c1-3-9-4-2-7(1)8-10-5-6-11-8/h1-6H
InChI Key:
GXLZMUSLZZNHNL-UHFFFAOYSA-N
SMILES:
n1ccc(cc1)c1ncco1
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.149g/mol
Monoisotopic Mass:
146.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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