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90127-56-3 | 5(4H)-Oxazolone, 4-(1-oxobutyl)-2-phenyl-
CAS No: 90127-56-3 Catalog No: AG00H78X MDL No:
Product Description
Catalog Number:
AG00H78X
Chemical Name:
5(4H)-Oxazolone, 4-(1-oxobutyl)-2-phenyl-
CAS Number:
90127-56-3
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
IUPAC Name:
4-butanoyl-2-phenyl-4H-1,3-oxazol-5-one
InChI:
InChI=1S/C13H13NO3/c1-2-6-10(15)11-13(16)17-12(14-11)9-7-4-3-5-8-9/h3-5,7-8,11H,2,6H2,1H3
InChI Key:
PQBTVWPNHJXJRC-UHFFFAOYSA-N
SMILES:
CCCC(=O)C1N=C(OC1=O)c1ccccc1
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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