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81777-92-6 | 3-Isoxazolidinone, 4,4-dimethyl-2-[(2-methylphenyl)methyl]-
CAS No: 81777-92-6 Catalog No: AG0056TT MDL No:
Product Description
Catalog Number:
AG0056TT
Chemical Name:
3-Isoxazolidinone, 4,4-dimethyl-2-[(2-methylphenyl)methyl]-
CAS Number:
81777-92-6
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
IUPAC Name:
4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,2-oxazolidin-3-one
InChI:
InChI=1S/C13H17NO2/c1-10-6-4-5-7-11(10)8-14-12(15)13(2,3)9-16-14/h4-7H,8-9H2,1-3H3
InChI Key:
MFCVJVSUKRTRFE-UHFFFAOYSA-N
SMILES:
O=C1N(OCC1(C)C)Cc1ccccc1C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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