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72990-83-1 | 4(5H)-Isoxazolone, 5,5-dimethyl-3-phenyl-
CAS No: 72990-83-1 Catalog No: AG008QT3 MDL No:
Product Description
Catalog Number:
AG008QT3
Chemical Name:
4(5H)-Isoxazolone, 5,5-dimethyl-3-phenyl-
CAS Number:
72990-83-1
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
IUPAC Name:
5,5-dimethyl-3-phenyl-1,2-oxazol-4-one
InChI:
InChI=1S/C11H11NO2/c1-11(2)10(13)9(12-14-11)8-6-4-3-5-7-8/h3-7H,1-2H3
InChI Key:
BCSXVFAVIFVISA-UHFFFAOYSA-N
SMILES:
O=C1C(=NOC1(C)C)c1ccccc1
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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