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81777-94-8 | 3-Isoxazolidinone, 4,4-dimethyl-2-(phenylmethyl)-
CAS No: 81777-94-8 Catalog No: AG008LIG MDL No:
Product Description
Catalog Number:
AG008LIG
Chemical Name:
3-Isoxazolidinone, 4,4-dimethyl-2-(phenylmethyl)-
CAS Number:
81777-94-8
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
IUPAC Name:
2-benzyl-4,4-dimethyl-1,2-oxazolidin-3-one
InChI:
InChI=1S/C12H15NO2/c1-12(2)9-15-13(11(12)14)8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChI Key:
XXIJGIHWGYOAQO-UHFFFAOYSA-N
SMILES:
O=C1N(OCC1(C)C)Cc1ccccc1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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