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81777-90-4 | 3-Isoxazolidinone, 4,4-dimethyl-2-phenyl-
CAS No: 81777-90-4 Catalog No: AG0050R4 MDL No:
Product Description
Catalog Number:
AG0050R4
Chemical Name:
3-Isoxazolidinone, 4,4-dimethyl-2-phenyl-
CAS Number:
81777-90-4
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
IUPAC Name:
4,4-dimethyl-2-phenyl-1,2-oxazolidin-3-one
InChI:
InChI=1S/C11H13NO2/c1-11(2)8-14-12(10(11)13)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChI Key:
UEUTYYINEWCCOV-UHFFFAOYSA-N
SMILES:
O=C1N(OCC1(C)C)c1ccccc1
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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