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81777-93-7 | 3-Isoxazolidinone, 2,4,4-trimethyl-
CAS No: 81777-93-7 Catalog No: AG005I23 MDL No:
Product Description
Catalog Number:
AG005I23
Chemical Name:
3-Isoxazolidinone, 2,4,4-trimethyl-
CAS Number:
81777-93-7
Molecular Formula:
C6H11NO2
Molecular Weight:
129.1570
IUPAC Name:
2,4,4-trimethyl-1,2-oxazolidin-3-one
InChI:
InChI=1S/C6H11NO2/c1-6(2)4-9-7(3)5(6)8/h4H2,1-3H3
InChI Key:
RPPFVHPKAYJEOH-UHFFFAOYSA-N
SMILES:
CN1OCC(C1=O)(C)C
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
129.159g/mol
Monoisotopic Mass:
129.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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