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128979-15-7

128979-15-7 | 4-benzoyl-1,3-oxazole

CAS No: 128979-15-7 Catalog No: AG01DV79 MDL No:MFCD30012267

Product Description

Catalog Number:
AG01DV79
Chemical Name:
4-benzoyl-1,3-oxazole
CAS Number:
128979-15-7
Molecular Formula:
C10H7NO2
Molecular Weight:
173.1681
MDL Number:
MFCD30012267
IUPAC Name:
1,3-oxazol-4-yl(phenyl)methanone
InChI:
InChI=1S/C10H7NO2/c12-10(9-6-13-7-11-9)8-4-2-1-3-5-8/h1-7H
InChI Key:
LVSZVEDQGDOCBQ-UHFFFAOYSA-N
SMILES:
O=C(c1cocn1)c1ccccc1

Properties

Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.048g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.171g/mol
Monoisotopic Mass:
173.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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