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25163-98-8 | 5(4H)-Oxazolone, 4-(2-methylpropyl)-2-phenyl-
CAS No: 25163-98-8 Catalog No: AG002QPW MDL No:MFCD00483662
Product Description
Catalog Number:
AG002QPW
Chemical Name:
5(4H)-Oxazolone, 4-(2-methylpropyl)-2-phenyl-
CAS Number:
25163-98-8
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
MDL Number:
MFCD00483662
IUPAC Name:
4-(2-methylpropyl)-2-phenyl-4H-1,3-oxazol-5-one
InChI:
InChI=1S/C13H15NO2/c1-9(2)8-11-13(15)16-12(14-11)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChI Key:
OPHIINOMBFPLBL-UHFFFAOYSA-N
SMILES:
CC(CC1N=C(OC1=O)c1ccccc1)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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