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115706-48-4 | 2-Propanone, 1-(5-isoxazolyl)- (9CI)
CAS No: 115706-48-4 Catalog No: AG009USY MDL No:MFCD18815876
Product Description
Catalog Number:
AG009USY
Chemical Name:
2-Propanone, 1-(5-isoxazolyl)- (9CI)
CAS Number:
115706-48-4
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
MDL Number:
MFCD18815876
IUPAC Name:
1-(1,2-oxazol-5-yl)propan-2-one
InChI:
InChI=1S/C6H7NO2/c1-5(8)4-6-2-3-7-9-6/h2-3H,4H2,1H3
InChI Key:
ANTVDRCODKYXJN-UHFFFAOYSA-N
SMILES:
CC(=O)Cc1ccno1
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.048g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.127g/mol
Monoisotopic Mass:
125.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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